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

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-3-29-24(28)20-13-15-26(16-14-20)18(2)23(27)25-21-9-11-22(12-10-21)30-17-19-7-5-4-6-8-19/h4-12,18,20H,3,13-17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1