ethyl 1-[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-3-29-24(28)21-14-16-26(17-15-21)18(2)23(27)25-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1