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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: N-[2-(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=C3SC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

InChI

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