1-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-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)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2S/c1-16-4-5-17(2)20(14-16)22-12-10-21(11-13-22)15-18-6-8-19(23-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3/p+1