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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H25N3OS/c1-16-6-3-4-9-19(16)23-12-10-22(11-13-23)15-20(24)21-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1