Product OPENEYE NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole
CAS Name: 3-ethyl-5-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole
IUPAC NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C15H20FN4O+
MOLECULAR WEIGHT: 291.343903
SMILES: CCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3F
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Product OPENEYE NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CAS Name: 3-ethyl-5-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole
IUPAC NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-ethyl-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C15H19FN4O
MOLECULAR WEIGHT: 290.335963
SMILES: CCC1=NOC(=N1)CN2CCN(CC2)C3=CC=CC=C3F
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Product OPENEYE NAME: N-allyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
IUPAC NAME: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
MOLECULAR FORMULA: C23H26N4O2S
MOLECULAR WEIGHT: 422.54314
SMILES: C=CCN(C1=NC2=C(S1)CCCC2)C(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CAS Name: 2-[(1S)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
IUPAC NAME: 2-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 2-[(1S)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C21H23F2N3O2
MOLECULAR WEIGHT: 387.423026
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1C(F)F)N3CCC4=CC(=C(C=C4C3)OC)OC
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Product OPENEYE NAME: 2-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CAS Name: 2-[(1R)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
IUPAC NAME: 2-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 2-[(1R)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C21H23F2N3O2
MOLECULAR WEIGHT: 387.423026
SMILES: C[C@H](C1=NC2=CC=CC=C2N1C(F)F)N3CCC4=CC(=C(C=C4C3)OC)OC
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Product OPENEYE NAME: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamide
CAS Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
IUPAC NAME: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[[4-azanyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]ethanamide
MOLECULAR FORMULA: C20H22FN5O3S
MOLECULAR WEIGHT: 431.483783
SMILES: CC1=C(C=CC(=C1)CNC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)OC)OC)F
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Product OPENEYE NAME: (4-chlorophenyl)methyl-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-methyl-ammonium
CAS Name: (4-chlorophenyl)methyl-methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ammonium
IUPAC NAME: (4-chlorophenyl)methyl-methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
SYSTEMATIC NAME: (4-chlorophenyl)methyl-methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
MOLECULAR FORMULA: C14H19ClN3O+
MOLECULAR WEIGHT: 280.77316
SMILES: CC(C)C1=NOC(=N1)C[NH+](C)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-methanamine
CAS Name: 1-(4-chlorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
IUPAC NAME: 1-(4-chlorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
MOLECULAR FORMULA: C14H18ClN3O
MOLECULAR WEIGHT: 279.76522
SMILES: CC(C)C1=NOC(=N1)CN(C)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]ethanone
IUPAC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C14H20F3N2O+
MOLECULAR WEIGHT: 289.31661
SMILES: CC1=CC(=C(N1)C)C(=O)C[NH+]2CCC[C@H](C2)C(F)(F)F
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Product OPENEYE NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethanone
CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)-1-piperidinyl]ethanone
IUPAC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
MOLECULAR FORMULA: C14H19F3N2O
MOLECULAR WEIGHT: 288.30867
SMILES: CC1=CC(=C(N1)C)C(=O)CN2CCC[C@H](C2)C(F)(F)F
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Product OPENEYE NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]ethanone
IUPAC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C14H20F3N2O+
MOLECULAR WEIGHT: 289.31661
SMILES: CC1=CC(=C(N1)C)C(=O)C[NH+]2CCC[C@@H](C2)C(F)(F)F
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Product OPENEYE NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)-1-piperidyl]ethanone
CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)-1-piperidinyl]ethanone
IUPAC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
MOLECULAR FORMULA: C14H19F3N2O
MOLECULAR WEIGHT: 288.30867
SMILES: CC1=CC(=C(N1)C)C(=O)CN2CCC[C@@H](C2)C(F)(F)F
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Product OPENEYE NAME: (2,4-dichlorophenyl)methyl-methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ammonium
CAS Name: (2,4-dichlorophenyl)methyl-methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ammonium
IUPAC NAME: (2,4-dichlorophenyl)methyl-methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium
SYSTEMATIC NAME: (2,4-dichlorophenyl)methyl-methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azanium
MOLECULAR FORMULA: C12H14Cl2N3O+
MOLECULAR WEIGHT: 287.16506
SMILES: CC1=NOC(=N1)C[NH+](C)CC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1-(2,4-dichlorophenyl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CAS Name: 1-(2,4-dichlorophenyl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
IUPAC NAME: 1-(2,4-dichlorophenyl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
MOLECULAR FORMULA: C12H13Cl2N3O
MOLECULAR WEIGHT: 286.15712
SMILES: CC1=NOC(=N1)CN(C)CC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: N-[(S)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H32N3O3+
MOLECULAR WEIGHT: 386.50778
SMILES: CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)C[NH+]3CCN(CC3)C(=O)[C@@H]4CCCO4
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Product OPENEYE NAME: N-[(S)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]acetamide
CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4CCCO4
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Product OPENEYE NAME: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H32N3O3+
MOLECULAR WEIGHT: 386.50778
SMILES: CC1=CC=C(C=C1)[C@@H](C2CC2)NC(=O)C[NH+]3CCN(CC3)C(=O)[C@@H]4CCCO4
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Product OPENEYE NAME: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]acetamide
CAS Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CC1=CC=C(C=C1)[C@@H](C2CC2)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4CCCO4
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Product OPENEYE NAME: N-[(S)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H32N3O3+
MOLECULAR WEIGHT: 386.50778
SMILES: CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)C[NH+]3CCN(CC3)C(=O)[C@H]4CCCO4
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Product OPENEYE NAME: N-[(S)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]acetamide
CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)CN3CCN(CC3)C(=O)[C@H]4CCCO4
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Product OPENEYE NAME: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H32N3O3+
MOLECULAR WEIGHT: 386.50778
SMILES: CC1=CC=C(C=C1)[C@@H](C2CC2)NC(=O)C[NH+]3CCN(CC3)C(=O)[C@H]4CCCO4
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Product OPENEYE NAME: N-[(R)-cyclopropyl(p-tolyl)methyl]-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-yl]acetamide
CAS Name: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3O3
MOLECULAR WEIGHT: 385.49984
SMILES: CC1=CC=C(C=C1)[C@@H](C2CC2)NC(=O)CN3CCN(CC3)C(=O)[C@H]4CCCO4
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Product OPENEYE NAME: (2R)-N-(4-methylcyclohexyl)-2-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]propanamide
CAS Name: (2R)-N-(4-methylcyclohexyl)-2-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2R)-N-(4-methylcyclohexyl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2R)-N-(4-methylcyclohexyl)-2-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H34N3O3+
MOLECULAR WEIGHT: 352.49156
SMILES: CC1CCC(CC1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)C(=O)[C@@H]3CCCO3
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