Product OPENEYE NAME: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylammonium chloride
IUPAC NAME: [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C23H32ClN3O2
MOLECULAR WEIGHT: 417.97208
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C(C)C(=O)NC2=C(C=CC=C2C)C.[Cl-]
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Product OPENEYE NAME: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylammonium
IUPAC NAME: [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
MOLECULAR FORMULA: C23H32N3O2+
MOLECULAR WEIGHT: 382.51908
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)C(C)C(=O)NC2=C(C=CC=C2C)C
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Product OPENEYE NAME: [2-(2,4-dimethylanilino)-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: [2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium chloride
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C22H30ClN3O2
MOLECULAR WEIGHT: 403.9455
SMILES: CC1=CC(=C(C=C1)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2C)C)C.[Cl-]
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Product OPENEYE NAME: [2-(2,4-dimethylanilino)-2-oxo-ethyl]-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: [2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C22H30N3O2+
MOLECULAR WEIGHT: 368.4925
SMILES: CC1=CC(=C(C=C1)NC(=O)C[N+](C)(C)CC(=O)NC2=C(C=CC=C2C)C)C
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Product OPENEYE NAME: 1,1-diethylpropylbenzene
CAS Name: 3-ethylpentan-3-ylbenzene
IUPAC NAME: 3-ethylpentan-3-ylbenzene
SYSTEMATIC NAME: 3-ethylpentan-3-ylbenzene
MOLECULAR FORMULA: C13H20
MOLECULAR WEIGHT: 176.2979
SMILES: CCC(CC)(CC)C1=CC=CC=C1
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Product OPENEYE NAME: 2-chlorobutanoic acid
CAS Name: 2-chlorobutanoic acid
IUPAC NAME: 2-chlorobutanoic acid
SYSTEMATIC NAME: 2-chloranylbutanoic acid
MOLECULAR FORMULA: C4H7ClO2
MOLECULAR WEIGHT: 122.55018
SMILES: CCC(C(=O)O)Cl
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Product OPENEYE NAME: but-2-enal
CAS Name: 2-butenal
IUPAC NAME: but-2-enal
SYSTEMATIC NAME: but-2-enal
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: CC=CC=O
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Product OPENEYE NAME: (2,4,6-trimethylphenyl)methanol
CAS Name: (2,4,6-trimethylphenyl)methanol
IUPAC NAME: (2,4,6-trimethylphenyl)methanol
SYSTEMATIC NAME: (2,4,6-trimethylphenyl)methanol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=CC(=C(C(=C1)C)CO)C
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Product OPENEYE NAME: 2-ethyl-3-methyl-pentanamide
CAS Name: 2-ethyl-3-methylpentanamide
IUPAC NAME: 2-ethyl-3-methylpentanamide
SYSTEMATIC NAME: 2-ethyl-3-methyl-pentanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCC(C)C(CC)C(=O)N
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Product OPENEYE NAME: [2-hydroxy-3-[4-(propylamino)benzoyl]oxy-propyl]-dimethyl-ammonium chloride
CAS Name: [2-hydroxy-3-[oxo-[4-(propylamino)phenyl]methoxy]propyl]-dimethylammonium chloride
IUPAC NAME: [2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-dimethylazanium chloride
SYSTEMATIC NAME: dimethyl-[2-oxidanyl-3-[4-(propylamino)phenyl]carbonyloxy-propyl]azanium chloride
MOLECULAR FORMULA: C15H25ClN2O3
MOLECULAR WEIGHT: 316.8236
SMILES: CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)C)O.[Cl-]
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Product OPENEYE NAME: [3-(dimethylamino)-2-hydroxy-propyl] 4-(propylamino)benzoate
CAS Name: 4-(propylamino)benzoic acid [3-(dimethylamino)-2-hydroxypropyl] ester
IUPAC NAME: [3-(dimethylamino)-2-hydroxypropyl] 4-(propylamino)benzoate
SYSTEMATIC NAME: [3-(dimethylamino)-2-oxidanyl-propyl] 4-(propylamino)benzoate
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CCCNC1=CC=C(C=C1)C(=O)OCC(CN(C)C)O
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Product OPENEYE NAME: 1,3-dimethylindane
CAS Name: 1,3-dimethyl-2,3-dihydro-1H-indene
IUPAC NAME: 1,3-dimethyl-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 1,3-dimethyl-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: CC1CC(C2=CC=CC=C12)C
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Product OPENEYE NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
CAS Name: 4-(4-phenyl-1-piperazinyl)-9-bicyclo[3.3.1]nonanol
IUPAC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
SYSTEMATIC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
MOLECULAR FORMULA: C19H28N2O
MOLECULAR WEIGHT: 300.43842
SMILES: C1CC2CCC(C(C1)C2O)N3CCN(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
CAS Name: 4-(4-phenyl-1-piperazinyl)-9-bicyclo[3.3.1]nonanone
IUPAC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
SYSTEMATIC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: C1CC2CCC(C(C1)C2=O)N3CCN(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
CAS Name: 4-(4-phenyl-1-piperazinyl)-8-bicyclo[3.2.1]octanone
IUPAC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
SYSTEMATIC NAME: 4-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
MOLECULAR FORMULA: C18H24N2O
MOLECULAR WEIGHT: 284.39596
SMILES: C1CC2C(CCC1C2=O)N3CCN(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-methyl-2-(4-nitroanilino)pentanamide
CAS Name: 4-methyl-2-(4-nitroanilino)pentanamide
IUPAC NAME: 4-methyl-2-(4-nitroanilino)pentanamide
SYSTEMATIC NAME: 4-methyl-2-[(4-nitrophenyl)amino]pentanamide
MOLECULAR FORMULA: C12H17N3O3
MOLECULAR WEIGHT: 251.28168
SMILES: CC(C)CC(C(=O)N)NC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(2,3-dihydroxypropoxy)benzoic acid
CAS Name: 4-(2,3-dihydroxypropoxy)benzoic acid
IUPAC NAME: 4-(2,3-dihydroxypropoxy)benzoic acid
SYSTEMATIC NAME: 4-[2,3-bis(oxidanyl)propoxy]benzoic acid
MOLECULAR FORMULA: C10H12O5
MOLECULAR WEIGHT: 212.19928
SMILES: C1=CC(=CC=C1C(=O)O)OCC(CO)O
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Product OPENEYE NAME: tetracontane
CAS Name: tetracontane
IUPAC NAME: tetracontane
SYSTEMATIC NAME: tetracontane
MOLECULAR FORMULA: C40H82
MOLECULAR WEIGHT: 563.07908
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: 2-[nitro(2-nitrooxyethyl)amino]ethyl nitrate
CAS Name: nitric acid 2-[nitro(2-nitrooxyethyl)amino]ethyl ester
IUPAC NAME: 2-[nitro(2-nitrooxyethyl)amino]ethyl nitrate
SYSTEMATIC NAME: 2-[nitro(2-nitrooxyethyl)amino]ethyl nitrate
MOLECULAR FORMULA: C4H8N4O8
MOLECULAR WEIGHT: 240.12832
SMILES: C(CO[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: allyl(triethyl)ammonium iodide
CAS Name: triethyl(prop-2-enyl)ammonium iodide
IUPAC NAME: triethyl(prop-2-enyl)azanium iodide
SYSTEMATIC NAME: triethyl(prop-2-enyl)azanium iodide
MOLECULAR FORMULA: C9H20IN
MOLECULAR WEIGHT: 269.16627
SMILES: CC[N+](CC)(CC)CC=C.[I-]
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