N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]-2-(o-tolylthio)acetamide Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C24H33N3OS/c1-20-8-7-10-22(18-20)27-16-14-26(15-17-27)13-6-5-12-25-24(28)19-29-23-11-4-3-9-21(23)2/h3-4,7-11,18H,5-6,12-17,19H2,1-2H3,(H,25,28)/p+1