1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(2-methylphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(o-tolyl)piperazin-1-ium Formula: C19H25N2S+ MolecularWeight: 313.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H24N2S/c1-16-5-3-4-6-19(16)21-13-11-20(12-14-21)15-17-7-9-18(22-2)10-8-17/h3-10H,11-15H2,1-2H3/p+1