methyl 1-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(2-phenylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(2-phenylanilino)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(2-phenylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-phenylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)17-11-13-23(14-12-17)15-20(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,24)/p+1