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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(p-tolylmethyl)piperazin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-methylbenzyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C20H27N2S+ MolecularWeight: 327.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2S/c1-17-3-5-18(6-4-17)15-21-11-13-22(14-12-21)16-19-7-9-20(23-2)10-8-19/h3-10H,11-16H2,1-2H3/p+1