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

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-3-29-24(28)21-15-10-16-26(17-21)18(2)23(27)25-22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,18,21-22H,3,10,15-17H2,1-2H3,(H,25,27)/p+1/t18-,21-/m0/s1