1-[(3-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(m-tolylmethyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-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(=CC=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

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