CAS RN: 6548-09-0
CAS Name: (2S)-2-ammonio-3-(5-bromo-1H-indol-3-yl)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-(5-bromo-1H-indol-3-yl)propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(5-bromo-1H-indol-3-yl)propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-(5-bromanyl-1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C11H11BrN2O2
MOLECULAR WEIGHT: 283.12124
SMILES: C1=CC2=C(C=C1Br)C(=CN2)C[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 71170-88-2
CAS Name: (2S)-1-phenylmethoxycarbonyl-2-piperidinecarboxylate
OPENEYE Name: (2S)-1-benzyloxycarbonylpiperidine-2-carboxylate
IUPAC Name: (2S)-1-phenylmethoxycarbonylpiperidine-2-carboxylate
SYSTEMATIC NAME: (2S)-1-phenylmethoxycarbonylpiperidine-2-carboxylate
MOLECULAR FORMULA: C14H16NO4-
MOLECULAR WEIGHT: 262.28114
SMILES: C1CCN([C@@H](C1)C(=O)[O-])C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 71170-88-2
CAS Name: (2R)-1-phenylmethoxycarbonyl-2-piperidinecarboxylate
OPENEYE Name: (2R)-1-benzyloxycarbonylpiperidine-2-carboxylate
IUPAC Name: (2R)-1-phenylmethoxycarbonylpiperidine-2-carboxylate
SYSTEMATIC NAME: (2R)-1-phenylmethoxycarbonylpiperidine-2-carboxylate
MOLECULAR FORMULA: C14H16NO4-
MOLECULAR WEIGHT: 262.28114
SMILES: C1CCN([C@H](C1)C(=O)[O-])C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 149182-72-9
CAS Name: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
OPENEYE Name: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
IUPAC Name: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
SYSTEMATIC NAME: (3S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide
MOLECULAR FORMULA: C14H21N2O+
MOLECULAR WEIGHT: 233.32934
SMILES: CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2C[NH2+]1
Structure:
CAS RN: 82419-35-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8F2NO4-
MOLECULAR WEIGHT: 280.203726
SMILES: C[C@@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)[O-]
Structure:
CAS RN: 82419-35-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8F2NO4-
MOLECULAR WEIGHT: 280.203726
SMILES: C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)[O-]
Structure:
CAS RN: 946-65-6
CAS Name: 3-(trifluoromethylthio)benzoate
OPENEYE Name: 3-(trifluoromethylsulfanyl)benzoate
IUPAC Name: 3-(trifluoromethylsulfanyl)benzoate
SYSTEMATIC NAME: 3-(trifluoromethylsulfanyl)benzoate
MOLECULAR FORMULA: C8H4F3O2S-
MOLECULAR WEIGHT: 221.17637
SMILES: C1=CC(=CC(=C1)SC(F)(F)F)C(=O)[O-]
Structure:
CAS RN: 149947-19-3
CAS Name: (E)-3-(4-bromo-2-fluorophenyl)-2-propenoate
OPENEYE Name: (E)-3-(4-bromo-2-fluoro-phenyl)prop-2-enoate
IUPAC Name: (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(4-bromanyl-2-fluoranyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C9H5BrFO2-
MOLECULAR WEIGHT: 244.037203
SMILES: C1=CC(=C(C=C1Br)F)/C=C/C(=O)[O-]
Structure:
CAS RN: 160434-49-1
CAS Name: (E)-3-(3-bromo-4-fluorophenyl)-2-propenoate
OPENEYE Name: (E)-3-(3-bromo-4-fluoro-phenyl)prop-2-enoate
IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C9H5BrFO2-
MOLECULAR WEIGHT: 244.037203
SMILES: C1=CC(=C(C=C1/C=C/C(=O)[O-])Br)F
Structure:
CAS RN: 79261-58-8
CAS Name: (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
OPENEYE Name: (3S)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC Name: (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C18H16NO4-
MOLECULAR WEIGHT: 310.32394
SMILES: C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)[O-]
Structure:
CAS RN: 54022-99-0
CAS Name: 5-[3-(trifluoromethyl)phenyl]-2-furancarboxylate
OPENEYE Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
IUPAC Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SYSTEMATIC NAME: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
MOLECULAR FORMULA: C12H6F3O3-
MOLECULAR WEIGHT: 255.16945
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)[O-]
Structure:
CAS RN: 48172-10-7
CAS Name: (2S)-4-(1,3-dioxo-2-isoindolyl)-2-hydroxybutanoate
OPENEYE Name: (2S)-4-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-butanoate
IUPAC Name: (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate
SYSTEMATIC NAME: (2S)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-butanoate
MOLECULAR FORMULA: C12H10NO5-
MOLECULAR WEIGHT: 248.2115
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC[C@@H](C(=O)[O-])O
Structure:
CAS RN: 4274-38-8
CAS Name: 2-amino-4-(trifluoromethyl)benzenethiolate
OPENEYE Name: 2-amino-4-(trifluoromethyl)benzenethiolate
IUPAC Name: 2-amino-4-(trifluoromethyl)benzenethiolate
SYSTEMATIC NAME: 2-azanyl-4-(trifluoromethyl)benzenethiolate
MOLECULAR FORMULA: C7H5F3NS-
MOLECULAR WEIGHT: 192.18151
SMILES: C1=CC(=C(C=C1C(F)(F)F)N)[S-]
Structure:
CAS RN: 62480-44-8
CAS Name: [(2S)-4-methyl-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentan-2-yl]ammonium
OPENEYE Name: [(1S)-3-methyl-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]butyl]ammonium
IUPAC Name: [(2S)-4-methyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-4-methyl-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-pentan-2-yl]azanium
MOLECULAR FORMULA: C16H21N2O3+
MOLECULAR WEIGHT: 289.34954
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(C)C)[NH3+]
Structure:
CAS RN: 50-43-1
CAS Name: 2,4,6-trichlorobenzoate
OPENEYE Name: 2,4,6-trichlorobenzoate
IUPAC Name: 2,4,6-trichlorobenzoate
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)benzoate
MOLECULAR FORMULA: C7H2Cl3O2-
MOLECULAR WEIGHT: 224.44858
SMILES: C1=C(C=C(C(=C1Cl)C(=O)[O-])Cl)Cl
Structure:
CAS RN: 340-90-9
CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)pentanedioate
OPENEYE Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)pentanedioate
IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)pentanedioate
SYSTEMATIC NAME: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioate
MOLECULAR FORMULA: C13H9NO6-2
MOLECULAR WEIGHT: 275.21366
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 20797-48-2
CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoate
OPENEYE Name: (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate
IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate
MOLECULAR FORMULA: C9H5ClNO4-
MOLECULAR WEIGHT: 226.5933
SMILES: C1=CC(=C(C=C1/C=C/C(=O)[O-])[N+](=O)[O-])Cl
Structure:
CAS RN: 36015-19-7
CAS Name: (E)-3-(2-chloro-5-nitrophenyl)-2-propenoate
OPENEYE Name: (E)-3-(2-chloro-5-nitro-phenyl)prop-2-enoate
IUPAC Name: (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(2-chloranyl-5-nitro-phenyl)prop-2-enoate
MOLECULAR FORMULA: C9H5ClNO4-
MOLECULAR WEIGHT: 226.5933
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)[O-])Cl
Structure:
CAS RN: 1205-30-7
CAS Name: 4-chloro-3-sulfamoylbenzoate
OPENEYE Name: 4-chloro-3-sulfamoyl-benzoate
IUPAC Name: 4-chloro-3-sulfamoylbenzoate
SYSTEMATIC NAME: 4-chloranyl-3-sulfamoyl-benzoate
MOLECULAR FORMULA: C7H5ClNO4S-
MOLECULAR WEIGHT: 234.6369
SMILES: C1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)N)Cl
Structure:
CAS RN: 6813-38-3
CAS Name: 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate
OPENEYE Name: 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate
IUPAC Name: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate
SYSTEMATIC NAME: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate
MOLECULAR FORMULA: C12H6N2O4-2
MOLECULAR WEIGHT: 242.18704
SMILES: C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-]
Structure:
CAS RN: 160348-98-1
CAS Name: 5-bromo-2,4-dihydroxybenzoate
OPENEYE Name: 5-bromo-2,4-dihydroxy-benzoate
IUPAC Name: 5-bromo-2,4-dihydroxybenzoate
SYSTEMATIC NAME: 5-bromanyl-2,4-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C7H4BrO4-
MOLECULAR WEIGHT: 232.00826
SMILES: C1=C(C(=CC(=C1Br)O)O)C(=O)[O-]
Structure:
CAS RN: 54375-47-2
CAS Name: 2-[carboxylatomethyl-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]ammonio]acetate
OPENEYE Name: 2-[carboxylatomethyl-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]ammonio]acetate
IUPAC Name: 2-[carboxylatomethyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]azaniumyl]acetate
SYSTEMATIC NAME: 2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate
MOLECULAR FORMULA: C15H14NO7-
MOLECULAR WEIGHT: 320.27416
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](CC(=O)[O-])CC(=O)[O-])O
Structure:
CAS RN: 213534-31-7
CAS Name: (3R)-4-oxo-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid methyl ester
OPENEYE Name: methyl (3R)-1-benzyl-4-oxo-piperidin-1-ium-3-carboxylate
IUPAC Name: methyl (3R)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
SYSTEMATIC NAME: methyl (3R)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate
MOLECULAR FORMULA: C14H18NO3+
MOLECULAR WEIGHT: 248.29762
SMILES: COC(=O)[C@@H]1C[NH+](CCC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 3939-01-3
CAS Name: (3S)-4-oxo-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid methyl ester
OPENEYE Name: methyl (3S)-1-benzyl-4-oxo-piperidin-1-ium-3-carboxylate
IUPAC Name: methyl (3S)-1-benzyl-4-oxopiperidin-1-ium-3-carboxylate
SYSTEMATIC NAME: methyl (3S)-4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate
MOLECULAR FORMULA: C14H18NO3+
MOLECULAR WEIGHT: 248.29762
SMILES: COC(=O)[C@H]1C[NH+](CCC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 32253-75-1
CAS Name: 5-bromo-2-(carboxylatomethylamino)benzoate
OPENEYE Name: 5-bromo-2-(carboxylatomethylamino)benzoate
IUPAC Name: 5-bromo-2-(carboxylatomethylamino)benzoate
SYSTEMATIC NAME: 5-bromanyl-2-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]benzoate
MOLECULAR FORMULA: C9H6BrNO4-2
MOLECULAR WEIGHT: 272.05224
SMILES: C1=CC(=C(C=C1Br)C(=O)[O-])NCC(=O)[O-]
Structure:
CAS RN: 1699-56-5
CAS Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethylammonium
OPENEYE Name: 2-(3,4-dibenzyloxyphenyl)ethylammonium
IUPAC Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethylazanium
SYSTEMATIC NAME: 2-[3,4-bis(phenylmethoxy)phenyl]ethylazanium
MOLECULAR FORMULA: C22H24NO2+
MOLECULAR WEIGHT: 334.43146
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC[NH3+])OCC3=CC=CC=C3
Structure:
CAS RN: 29440-91-3
CAS Name: [(2R)-1-(3-hydroxy-4-methylphenyl)butan-2-yl]ammonium
OPENEYE Name: [(1R)-1-[(3-hydroxy-4-methyl-phenyl)methyl]propyl]ammonium
IUPAC Name: [(2R)-1-(3-hydroxy-4-methylphenyl)butan-2-yl]azanium
SYSTEMATIC NAME: [(2R)-1-(4-methyl-3-oxidanyl-phenyl)butan-2-yl]azanium
MOLECULAR FORMULA: C11H18NO+
MOLECULAR WEIGHT: 180.26672
SMILES: CC[C@H](CC1=CC(=C(C=C1)C)O)[NH3+]
Structure:
CAS RN: 29440-91-3
CAS Name: [(2S)-1-(3-hydroxy-4-methylphenyl)butan-2-yl]ammonium
OPENEYE Name: [(1S)-1-[(3-hydroxy-4-methyl-phenyl)methyl]propyl]ammonium
IUPAC Name: [(2S)-1-(3-hydroxy-4-methylphenyl)butan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-(4-methyl-3-oxidanyl-phenyl)butan-2-yl]azanium
MOLECULAR FORMULA: C11H18NO+
MOLECULAR WEIGHT: 180.26672
SMILES: CC[C@@H](CC1=CC(=C(C=C1)C)O)[NH3+]
Structure:
CAS RN: 2016-05-9
CAS Name: dicyclohexyloxymethyl(dimethyl)ammonium
OPENEYE Name: bis(cyclohexoxy)methyl-dimethyl-ammonium
IUPAC Name: dicyclohexyloxymethyl(dimethyl)azanium
SYSTEMATIC NAME: dicyclohexyloxymethyl(dimethyl)azanium
MOLECULAR FORMULA: C15H30NO2+
MOLECULAR WEIGHT: 256.4042
SMILES: C[NH+](C)C(OC1CCCCC1)OC2CCCCC2
Structure:
CAS RN: 6297-14-9
CAS Name: (5-amino-2-hydroxyphenyl)methyl-diethylammonium
OPENEYE Name: (5-amino-2-hydroxy-phenyl)methyl-diethyl-ammonium
IUPAC Name: (5-amino-2-hydroxyphenyl)methyl-diethylazanium
SYSTEMATIC NAME: (5-azanyl-2-oxidanyl-phenyl)methyl-diethyl-azanium
MOLECULAR FORMULA: C11H19N2O+
MOLECULAR WEIGHT: 195.28136
SMILES: CC[NH+](CC)CC1=C(C=CC(=C1)N)O
Structure:
CAS RN: 436086-95-2
CAS Name: 2-(5-oxo-2-thiophen-2-yl-1-cyclopentenyl)acetate
OPENEYE Name: 2-[5-oxo-2-(2-thienyl)cyclopenten-1-yl]acetate
IUPAC Name: 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetate
SYSTEMATIC NAME: 2-(5-oxidanylidene-2-thiophen-2-yl-cyclopenten-1-yl)ethanoate
MOLECULAR FORMULA: C11H9O3S-
MOLECULAR WEIGHT: 221.25236
SMILES: C1CC(=O)C(=C1C2=CC=CS2)CC(=O)[O-]
Structure:
CAS RN: 117069-75-7
CAS Name: [(3S)-2-oxo-1,3-dihydroindol-3-yl]ammonium
OPENEYE Name: [(3S)-2-oxoindolin-3-yl]ammonium
IUPAC Name: [(3S)-2-oxo-1,3-dihydroindol-3-yl]azanium
SYSTEMATIC NAME: [(3S)-2-oxidanylidene-1,3-dihydroindol-3-yl]azanium
MOLECULAR FORMULA: C8H9N2O+
MOLECULAR WEIGHT: 149.16986
SMILES: C1=CC=C2C(=C1)[C@@H](C(=O)N2)[NH3+]
Structure:
CAS RN: 436100-02-6
CAS Name: 5-tert-butyl-2-[(diethylammonio)methyl]-3-furancarboxylate
OPENEYE Name: 5-tert-butyl-2-[(diethylammonio)methyl]furan-3-carboxylate
IUPAC Name: 5-tert-butyl-2-[(diethylazaniumyl)methyl]furan-3-carboxylate
SYSTEMATIC NAME: 5-tert-butyl-2-[(diethylazaniumyl)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C14H23NO3
MOLECULAR WEIGHT: 253.33732
SMILES: CC[NH+](CC)CC1=C(C=C(O1)C(C)(C)C)C(=O)[O-]
Structure:
CAS RN: 361372-43-2
CAS Name: (3R)-6-oxo-3-[3-oxo-3-[(phenylmethyl)amino]propyl]-3-piperidinecarboxylate
OPENEYE Name: (3R)-3-[3-(benzylamino)-3-oxo-propyl]-6-oxo-piperidine-3-carboxylate
IUPAC Name: (3R)-3-[3-(benzylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxylate
SYSTEMATIC NAME: (3R)-6-oxidanylidene-3-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C16H19N2O4-
MOLECULAR WEIGHT: 303.33306
SMILES: C1C[C@](CNC1=O)(CCC(=O)NCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 361372-43-2
CAS Name: (3S)-6-oxo-3-[3-oxo-3-[(phenylmethyl)amino]propyl]-3-piperidinecarboxylate
OPENEYE Name: (3S)-3-[3-(benzylamino)-3-oxo-propyl]-6-oxo-piperidine-3-carboxylate
IUPAC Name: (3S)-3-[3-(benzylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxylate
SYSTEMATIC NAME: (3S)-6-oxidanylidene-3-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C16H19N2O4-
MOLECULAR WEIGHT: 303.33306
SMILES: C1C[C@@](CNC1=O)(CCC(=O)NCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 63768-20-7
CAS Name: (1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
OPENEYE Name: (1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
IUPAC Name: (1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
SYSTEMATIC NAME: (1S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
MOLECULAR FORMULA: C17H20NO2+
MOLECULAR WEIGHT: 270.3462
SMILES: COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=CC=C3)OC
Structure:
CAS RN: 63768-20-7
CAS Name: (1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
OPENEYE Name: (1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
IUPAC Name: (1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
SYSTEMATIC NAME: (1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
MOLECULAR FORMULA: C17H20NO2+
MOLECULAR WEIGHT: 270.3462
SMILES: COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC=CC=C3)OC
Structure:
CAS RN: 5678-45-5
CAS Name: (3S)-3-ammonio-3-(4-methoxyphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 5678-45-5
CAS Name: (3R)-3-ammonio-3-(4-methoxyphenyl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=C(C=C1)[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 121626-22-0
CAS Name: 2-(6,6-dimethyl-4-oxo-2-phenyl-5,7-dihydroindol-1-yl)acetate
OPENEYE Name: 2-(6,6-dimethyl-4-oxo-2-phenyl-5,7-dihydroindol-1-yl)acetate
IUPAC Name: 2-(6,6-dimethyl-4-oxo-2-phenyl-5,7-dihydroindol-1-yl)acetate
SYSTEMATIC NAME: 2-(6,6-dimethyl-4-oxidanylidene-2-phenyl-5,7-dihydroindol-1-yl)ethanoate
MOLECULAR FORMULA: C18H18NO3-
MOLECULAR WEIGHT: 296.34042
SMILES: CC1(CC2=C(C=C(N2CC(=O)[O-])C3=CC=CC=C3)C(=O)C1)C
Structure:
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