Product OPENEYE NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
CAS Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
IUPAC NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C21H21IN2S2
MOLECULAR WEIGHT: 492.43931
SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]
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Product OPENEYE NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
CAS Name: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
IUPAC NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
SYSTEMATIC NAME: 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole
MOLECULAR FORMULA: C21H21N2S2+
MOLECULAR WEIGHT: 365.53484
SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; dimethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; dimethyl-[2-(5-phenyl-3-isoxazolyl)ethyl]ammonium
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; dimethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium
SYSTEMATIC NAME: dimethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium; 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C19H24N2O8
MOLECULAR WEIGHT: 408.40246
SMILES: C[NH+](C)CCC1=NOC(=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: N,N-dimethyl-2-(5-phenylisoxazol-3-yl)ethanamine
CAS Name: N,N-dimethyl-2-(5-phenyl-3-isoxazolyl)ethanamine
IUPAC NAME: N,N-dimethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: CN(C)CCC1=NOC(=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride
CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride
IUPAC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride
SYSTEMATIC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2-ium chloride
MOLECULAR FORMULA: C24H32ClNO4
MOLECULAR WEIGHT: 433.96818
SMILES: CCOC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]
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Product OPENEYE NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
IUPAC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
SYSTEMATIC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
MOLECULAR FORMULA: C24H31NO4
MOLECULAR WEIGHT: 397.50724
SMILES: CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC
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Product OPENEYE NAME: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine
CAS Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-1-benzimidazolyl]-N,N-diethylethanamine
IUPAC NAME: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C22H28N4O3
MOLECULAR WEIGHT: 396.48272
SMILES: CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC
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Product OPENEYE NAME: N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]benzamide
CAS Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C19H22N6O4
MOLECULAR WEIGHT: 398.41578
SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(5-phenyl-3-isoxazolyl)ethyl]ammonium
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium
SYSTEMATIC NAME: diethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium; 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C21H28N2O8
MOLECULAR WEIGHT: 436.45562
SMILES: CC[NH+](CC)CCC1=NOC(=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: N,N-diethyl-2-(5-phenylisoxazol-3-yl)ethanamine
CAS Name: N,N-diethyl-2-(5-phenyl-3-isoxazolyl)ethanamine
IUPAC NAME: N,N-diethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(5-phenyl-1,2-oxazol-3-yl)ethanamine
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CCN(CC)CCC1=NOC(=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-acetamide
CAS Name: N,N-dimethyl-2-(1-methyl-3-pyrrolidinyl)-2,2-diphenylacetamide
IUPAC NAME: N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenylacetamide
SYSTEMATIC NAME: N,N-dimethyl-2-(1-methylpyrrolidin-3-yl)-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: CN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N(C)C
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; 3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)isoxazole
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 3-phenyl-5-[2-(1-piperidin-1-iumyl)ethyl]isoxazole
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 3-phenyl-5-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
MOLECULAR FORMULA: C22H28N2O8
MOLECULAR WEIGHT: 448.46632
SMILES: C1CC[NH+](CC1)CCC2=CC(=NO2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: 3-phenyl-5-[2-(1-piperidyl)ethyl]isoxazole
CAS Name: 3-phenyl-5-[2-(1-piperidinyl)ethyl]isoxazole
IUPAC NAME: 3-phenyl-5-(2-piperidin-1-ylethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-phenyl-5-(2-piperidin-1-ylethyl)-1,2-oxazole
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: C1CCN(CC1)CCC2=CC(=NO2)C3=CC=CC=C3
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Product OPENEYE NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-isobenzofuran-1-one chloride
CAS Name: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-isobenzofuran-1-one chloride
IUPAC NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride
SYSTEMATIC NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride
MOLECULAR FORMULA: C22H24ClNO7
MOLECULAR WEIGHT: 449.88146
SMILES: C[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]
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Product OPENEYE NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
CAS Name: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
IUPAC NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C22H23NO7
MOLECULAR WEIGHT: 413.42052
SMILES: CN1CCC2=CC3=C(C(=C2[C@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
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Product OPENEYE NAME: (4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
CAS Name: (4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC NAME: (4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (4S,4aR,5S,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C22H22N2O8
MOLECULAR WEIGHT: 442.41868
SMILES: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)C(=C(N)O)C1=O)O)O)O
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Product OPENEYE NAME: tetrabutylammonium; 2,4,6-trinitrophenolate
CAS Name: tetrabutylammonium; 2,4,6-trinitrophenolate
IUPAC NAME: tetrabutylazanium; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: tetrabutylazanium; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C22H38N4O7
MOLECULAR WEIGHT: 470.55972
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate
CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C30H32N2O2
MOLECULAR WEIGHT: 452.58728
SMILES: CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphonium dibromide
CAS Name: triphenyl(10-triphenylphosphiniumyldecyl)phosphonium dibromide
IUPAC NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphanium dibromide
SYSTEMATIC NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphanium dibromide
MOLECULAR FORMULA: C46H50Br2P2
MOLECULAR WEIGHT: 824.644722
SMILES: C1=CC=C(C=C1)[P+](CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-].[Br-]
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Product OPENEYE NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphonium
CAS Name: triphenyl(10-triphenylphosphiniumyldecyl)phosphonium
IUPAC NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphanium
SYSTEMATIC NAME: triphenyl(10-triphenylphosphaniumyldecyl)phosphanium
MOLECULAR FORMULA: C46H50P2+2
MOLECULAR WEIGHT: 664.836722
SMILES: C1=CC=C(C=C1)[P+](CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: lanthanum(3+) triacetate
CAS Name: lanthanum(3+) triacetate
IUPAC NAME: lanthanum(3+) triacetate
SYSTEMATIC NAME: lanthanum(3+) triethanoate
MOLECULAR FORMULA: C6H9LaO6
MOLECULAR WEIGHT: 316.03756
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[La+3]
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