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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-2-27-22(26)17-12-14-24(15-13-17)16-21(25)23-19-10-6-7-11-20(19)28-18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,23,25)/p+1