ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-3-29-24(28)20-10-7-15-26(16-20)18(2)23(27)25-21-11-13-22(14-12-21)30-17-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,20H,3,7,10,15-17H2,1-2H3,(H,25,27)/p+1/t18-,20-/m0/s1