ethyl 1-[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C24H30N2O4/c1-3-29-21-13-9-8-12-20(21)25-23(27)22(18-10-6-5-7-11-18)26-16-14-19(15-17-26)24(28)30-4-2/h5-13,19,22H,3-4,14-17H2,1-2H3,(H,25,27)/p+1/t22-/m1/s1