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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

InChI

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