N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(o-tolylthio)acetamide Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2OS/c1-16-4-2-3-5-20(16)26-15-21(25)23-19-10-12-24(13-11-19)14-17-6-8-18(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25)/p+1