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

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-benzyloxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-benzoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-2-28-23(27)19-9-6-14-25(15-19)16-22(26)24-20-10-12-21(13-11-20)29-17-18-7-4-3-5-8-18/h3-5,7-8,10-13,19H,2,6,9,14-17H2,1H3,(H,24,26)/p+1/t19-/m0/s1