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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

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