1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-15-5-7-16(8-6-15)27-18-4-2-1-3-17(18)23-19(25)13-24-11-9-14(10-12-24)20(22)26/h1-8,14H,9-13H2,(H2,22,26)(H,23,25)/p+1