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

Systemtic Name: ethyl (3S)-1-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-3-28-23(27)19-10-7-15-25(16-19)21(18-8-5-4-6-9-18)22(26)24-20-13-11-17(2)12-14-20/h4-6,8-9,11-14,19,21H,3,7,10,15-16H2,1-2H3,(H,24,26)/p+1/t19-,21+/m0/s1