1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C20H27N2S+ MolecularWeight: 327.50678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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