ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(2-phenylanilino)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(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-3-28-23(27)19-12-9-15-25(16-19)17(2)22(26)24-21-14-8-7-13-20(21)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,26)/p+1/t17-,19-/m0/s1