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

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-[4-(methylthio)benzyl]piperazin-1-ium Formula: C20H27N2S+ MolecularWeight: 327.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

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