ethyl (3S)-1-[(1R)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1R)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1R)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H28ClN2O4+ MolecularWeight: 431.93242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H27ClN2O4/c1-3-30-23(28)17-10-7-13-26(15-17)21(16-8-5-4-6-9-16)22(27)25-18-11-12-20(29-2)19(24)14-18/h4-6,8-9,11-12,14,17,21H,3,7,10,13,15H2,1-2H3,(H,25,27)/p+1/t17-,21+/m0/s1