N-methyl-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-methyl-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-methyl-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-22-21(26)16-11-13-24(14-12-16)15-20(25)23-18-9-5-6-10-19(18)27-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,26)(H,23,25)/p+1