N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: 2-methylsulfanyl-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]acetamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-methylsulfanylacetamide Traditional Name: 2-(methylthio)-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CSC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CSC

InChI

InChI=1S/C20H26N4OS/c1-16-6-3-4-8-18(16)23-10-12-24(13-11-23)20-17(7-5-9-21-20)14-22-19(25)15-26-2/h3-9H,10-15H2,1-2H3,(H,22,25)/p+1