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

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-phenoxyanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c1-2-27-22(26)17-7-6-14-24(15-17)16-21(25)23-18-10-12-20(13-11-18)28-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,23,25)/p+1/t17-/m0/s1