CAS RN: 70261-81-3
CAS Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
OPENEYE Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
SYSTEMATIC NAME: 1-methyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
MOLECULAR FORMULA: C12H19N3O2+2
MOLECULAR WEIGHT: 237.29816
SMILES: C[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7524-52-9
CAS Name: [(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]ammonium
IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium
MOLECULAR FORMULA: C12H15N2O2+
MOLECULAR WEIGHT: 219.2597
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)[NH3+]
Structure:
CAS RN: 253328-54-0
CAS Name: (1R)-1-[(3aR,5S,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
OPENEYE Name: (1R)-1-[(3aR,5S,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
IUPAC Name: (1R)-1-[(3aR,5S,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(3aR,5S,6S,6aS)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
MOLECULAR FORMULA: C9H16O6
MOLECULAR WEIGHT: 220.21974
SMILES: CC1(O[C@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](CO)O)O)C
Structure:
CAS RN: 57728-59-3
CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(3-chlorobenzoyl)amino]acetate
IUPAC Name: 2-[(3-chlorobenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(3-chlorophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C9H7ClNO3-
MOLECULAR WEIGHT: 212.60978
SMILES: C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)[O-]
Structure:
CAS RN: 205985-91-7
CAS Name: (2S,4S)-2-methyl-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2S,4S)-2-methylthiazolidin-3-ium-4-carboxylate
IUPAC Name: (2S,4S)-2-methyl-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2S,4S)-2-methyl-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C5H9NO2S
MOLECULAR WEIGHT: 147.19546
SMILES: C[C@H]1[NH2+][C@H](CS1)C(=O)[O-]
Structure:
CAS RN: 13214-64-7
CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(4-methoxybenzoyl)amino]acetate
IUPAC Name: 2-[(4-methoxybenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C10H10NO4-
MOLECULAR WEIGHT: 208.1907
SMILES: COC1=CC=C(C=C1)C(=O)NCC(=O)[O-]
Structure:
CAS RN: 304666-33-9
CAS Name: (1R,3R)-3-[(4-fluoroanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate
OPENEYE Name: (1R,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate
IUPAC Name: (1R,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1R,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C16H19FNO3-
MOLECULAR WEIGHT: 292.325363
SMILES: C[C@]1(CC[C@H](C1(C)C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]
Structure:
CAS RN: 304666-33-9
CAS Name: (1S,3R)-3-[(4-fluoroanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate
OPENEYE Name: (1S,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate
IUPAC Name: (1S,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1S,3R)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C16H19FNO3-
MOLECULAR WEIGHT: 292.325363
SMILES: C[C@@]1(CC[C@H](C1(C)C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]
Structure:
CAS RN: 304666-33-9
CAS Name: (1R,3S)-3-[(4-fluoroanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate
OPENEYE Name: (1R,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate
IUPAC Name: (1R,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1R,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C16H19FNO3-
MOLECULAR WEIGHT: 292.325363
SMILES: C[C@]1(CC[C@@H](C1(C)C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]
Structure:
CAS RN: 304666-33-9
CAS Name: (1S,3S)-3-[(4-fluoroanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylate
OPENEYE Name: (1S,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylate
IUPAC Name: (1S,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1S,3S)-3-[(4-fluorophenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C16H19FNO3-
MOLECULAR WEIGHT: 292.325363
SMILES: C[C@@]1(CC[C@@H](C1(C)C)C(=O)NC2=CC=C(C=C2)F)C(=O)[O-]
Structure:
CAS RN: 109164-38-7
CAS Name: 4-[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-4-oxobutanoate
OPENEYE Name: 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-oxo-butanoate
IUPAC Name: 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoate
SYSTEMATIC NAME: 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C11H13N2O4S-
MOLECULAR WEIGHT: 269.29692
SMILES: CC1=C(SC(=C1C(=O)N)NC(=O)CCC(=O)[O-])C
Structure:
CAS RN: 1161-13-3
CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
OPENEYE Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate
IUPAC Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C17H16NO4-
MOLECULAR WEIGHT: 298.31324
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 130178-54-0
CAS Name: (2S)-1-(2-nitrophenyl)sulfonyl-2-piperidinecarboxylate
OPENEYE Name: (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
IUPAC Name: (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
SYSTEMATIC NAME: (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
MOLECULAR FORMULA: C12H13N2O6S-
MOLECULAR WEIGHT: 313.30642
SMILES: C1CCN([C@@H](C1)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 332052-54-7
CAS Name: (3S)-3-[[(4-chlorophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoate
OPENEYE Name: (3S)-3-[(4-chlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
IUPAC Name: (3S)-3-[(4-chlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-[(4-chlorophenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H15ClNO4-
MOLECULAR WEIGHT: 332.7583
SMILES: COC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 332052-54-7
CAS Name: (3R)-3-[[(4-chlorophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoate
OPENEYE Name: (3R)-3-[(4-chlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
IUPAC Name: (3R)-3-[(4-chlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3R)-3-[(4-chlorophenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C17H15ClNO4-
MOLECULAR WEIGHT: 332.7583
SMILES: COC1=CC=C(C=C1)[C@@H](CC(=O)[O-])NC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 17228-98-7
CAS Name: 2-(4-chlorophenyl)-4-thiazolecarboxylate
OPENEYE Name: 2-(4-chlorophenyl)thiazole-4-carboxylate
IUPAC Name: 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C10H5ClNO2S-
MOLECULAR WEIGHT: 238.6702
SMILES: C1=CC(=CC=C1C2=NC(=CS2)C(=O)[O-])Cl
Structure:
CAS RN: 2964-48-9
CAS Name: [(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]ammonium
OPENEYE Name: [(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]ammonium
IUPAC Name: [(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]azanium
SYSTEMATIC NAME: [(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium
MOLECULAR FORMULA: C9H13N2O4+
MOLECULAR WEIGHT: 213.21052
SMILES: C1=CC(=CC=C1[C@@H]([C@H](CO)[NH3+])O)[N+](=O)[O-]
Structure:
CAS RN: 716-61-0
CAS Name: [(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]ammonium
OPENEYE Name: [(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]ammonium
IUPAC Name: [(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]azanium
SYSTEMATIC NAME: [(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]azanium
MOLECULAR FORMULA: C9H13N2O4+
MOLECULAR WEIGHT: 213.21052
SMILES: C1=CC(=CC=C1[C@H]([C@@H](CO)[NH3+])O)[N+](=O)[O-]
Structure:
CAS RN: 52730-34-4
CAS Name: 2-[(4S)-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]acetate
OPENEYE Name: 2-[(4S)-1-benzyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetate
IUPAC Name: 2-[(4S)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
SYSTEMATIC NAME: 2-[(4S)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoate
MOLECULAR FORMULA: C12H11N2O3S-
MOLECULAR WEIGHT: 263.29234
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H](NC2=S)CC(=O)[O-]
Structure:
CAS RN: 52730-34-4
CAS Name: 2-[(4R)-5-oxo-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]acetate
OPENEYE Name: 2-[(4R)-1-benzyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetate
IUPAC Name: 2-[(4R)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
SYSTEMATIC NAME: 2-[(4R)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoate
MOLECULAR FORMULA: C12H11N2O3S-
MOLECULAR WEIGHT: 263.29234
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H](NC2=S)CC(=O)[O-]
Structure:
CAS RN: 332383-91-2
CAS Name: (2S,3R)-2-ammonio-3-hydroxy-3-phenylpropanoate
OPENEYE Name: (2S,3R)-2-azaniumyl-3-hydroxy-3-phenyl-propanoate
IUPAC Name: (2S,3R)-2-azaniumyl-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: (2S,3R)-2-azaniumyl-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC=C(C=C1)[C@H]([C@@H](C(=O)[O-])[NH3+])O
Structure:
CAS RN: 71993-15-2
CAS Name: 1-(4-amino-2-methyl-3-quinolin-1-iumyl)ethanone
OPENEYE Name: 1-(4-amino-2-methyl-quinolin-1-ium-3-yl)ethanone
IUPAC Name: 1-(4-amino-2-methylquinolin-1-ium-3-yl)ethanone
SYSTEMATIC NAME: 1-(4-azanyl-2-methyl-quinolin-1-ium-3-yl)ethanone
MOLECULAR FORMULA: C12H13N2O+
MOLECULAR WEIGHT: 201.24442
SMILES: CC1=[NH+]C2=CC=CC=C2C(=C1C(=O)C)N
Structure:
CAS RN: 70111-45-4
CAS Name: 4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoate
OPENEYE Name: 4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate
IUPAC Name: 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C13H16NO4S-
MOLECULAR WEIGHT: 282.33544
SMILES: C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 70111-45-4
CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoate
OPENEYE Name: 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate
IUPAC Name: 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C13H16NO4S-
MOLECULAR WEIGHT: 282.33544
SMILES: C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 1147-43-9
CAS Name: 2-[(2-aminophenyl)-oxomethyl]benzoate
OPENEYE Name: 2-(2-aminobenzoyl)benzoate
IUPAC Name: 2-(2-aminobenzoyl)benzoate
SYSTEMATIC NAME: 2-(2-aminophenyl)carbonylbenzoate
MOLECULAR FORMULA: C14H10NO3-
MOLECULAR WEIGHT: 240.2341
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)[O-]
Structure:
CAS RN: 64527-22-6
CAS Name: (2S)-1-(4-acetamidophenyl)sulfonyl-2-pyrrolidinecarboxylate
OPENEYE Name: (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
IUPAC Name: (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C13H15N2O5S-
MOLECULAR WEIGHT: 311.3336
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-]
Structure:
CAS RN: 64527-22-6
CAS Name: (2R)-1-(4-acetamidophenyl)sulfonyl-2-pyrrolidinecarboxylate
OPENEYE Name: (2R)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
IUPAC Name: (2R)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2R)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C13H15N2O5S-
MOLECULAR WEIGHT: 311.3336
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-]
Structure:
CAS RN: 2815-95-4
CAS Name: 3-(1,3-benzodioxol-5-yl)propanoate
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)propanoate
IUPAC Name: 3-(1,3-benzodioxol-5-yl)propanoate
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)propanoate
MOLECULAR FORMULA: C10H9O4-
MOLECULAR WEIGHT: 193.17606
SMILES: C1OC2=C(O1)C=C(C=C2)CCC(=O)[O-]
Structure:
CAS RN: 93733-59-6
CAS Name: (2R)-2-hydroxy-N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-phenylacetohydrazide
OPENEYE Name: (2R)-2-hydroxy-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-acetohydrazide
IUPAC Name: (2R)-2-hydroxy-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-phenylacetohydrazide
SYSTEMATIC NAME: (2R)-2-oxidanyl-N'-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-2-phenyl-ethanehydrazide
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: C1=CC=C(C=C1)[C@H](C(=O)NNC=C2C=CC=CC2=O)O
Structure:
CAS RN: 58337-23-8
CAS Name: 2-anilino-4-oxo-3-furancarboxylate
OPENEYE Name: 2-anilino-4-oxo-furan-3-carboxylate
IUPAC Name: 2-anilino-4-oxofuran-3-carboxylate
SYSTEMATIC NAME: 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate
MOLECULAR FORMULA: C11H8NO4-
MOLECULAR WEIGHT: 218.18552
SMILES: C1C(=O)C(=C(O1)NC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 345-78-8
CAS Name: [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium
OPENEYE Name: [(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium
IUPAC Name: [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SYSTEMATIC NAME: methyl-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C10H16NO+
MOLECULAR WEIGHT: 166.24014
SMILES: C[C@@H]([C@H](C1=CC=CC=C1)O)[NH2+]C
Structure:
CAS RN: 1684-40-8
CAS Name: 1,2,3,4-tetrahydroacridin-10-ium-9-amine
OPENEYE Name: 1,2,3,4-tetrahydroacridin-10-ium-9-amine
IUPAC Name: 1,2,3,4-tetrahydroacridin-10-ium-9-amine
SYSTEMATIC NAME: 1,2,3,4-tetrahydroacridin-10-ium-9-amine
MOLECULAR FORMULA: C13H15N2+
MOLECULAR WEIGHT: 199.2716
SMILES: C1CCC2=[NH+]C3=CC=CC=C3C(=C2C1)N
Structure:
CAS RN: 57056-57-2
CAS Name: (3R)-4,5-dioxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (3R)-1-benzyl-4,5-dioxo-pyrrolidine-3-carboxylate
IUPAC Name: ethyl (3R)-1-benzyl-4,5-dioxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-4,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: CCOC(=O)[C@@H]1CN(C(=O)C1=O)CC2=CC=CC=C2
Structure:
CAS RN: 128052-92-6
CAS Name: (1S,2R)-2-ammonio-1-cyclopentanecarboxylate
OPENEYE Name: (1S,2R)-2-azaniumylcyclopentanecarboxylate
IUPAC Name: (1S,2R)-2-azaniumylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1S,2R)-2-azaniumylcyclopentane-1-carboxylate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1C[C@@H]([C@@H](C1)[NH3+])C(=O)[O-]
Structure:
CAS RN: 26921-17-5
CAS Name: tert-butyl-[(2S)-2-hydroxy-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]propyl]ammonium
OPENEYE Name: tert-butyl-[(2S)-2-hydroxy-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]propyl]ammonium
IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]azanium
SYSTEMATIC NAME: tert-butyl-[(2S)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-2-oxidanyl-propyl]azanium
MOLECULAR FORMULA: C13H25N4O3S+
MOLECULAR WEIGHT: 317.4276
SMILES: CC(C)(C)[NH2+]C[C@@H](COC1=NSN=C1N2CCOCC2)O
Structure:
CAS RN: 16899-83-5
CAS Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylammonium
OPENEYE Name: [2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-dimethyl-ammonium
IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C10H14NO3+
MOLECULAR WEIGHT: 196.22306
SMILES: C[NH+](C)CC(=O)C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 17969-20-9
CAS Name: 2-[2-(4-chlorophenyl)-4-thiazolyl]acetate
OPENEYE Name: 2-[2-(4-chlorophenyl)thiazol-4-yl]acetate
IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
SYSTEMATIC NAME: 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanoate
MOLECULAR FORMULA: C11H7ClNO2S-
MOLECULAR WEIGHT: 252.69678
SMILES: C1=CC(=CC=C1C2=NC(=CS2)CC(=O)[O-])Cl
Structure:
CAS RN: 5949-11-1
CAS Name: (R)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
OPENEYE Name: (R)-4-quinolyl-[(2S,4R,5S)-5-vinylquinuclidin-1-ium-2-yl]methanol
IUPAC Name: (R)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
SYSTEMATIC NAME: (R)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol
MOLECULAR FORMULA: C19H23N2O+
MOLECULAR WEIGHT: 295.39872
SMILES: C=C[C@@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
Structure:
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