(4-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: (4-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(p-tolyl)methanethione CAS Name: (4-methylphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (4-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(p-tolyl)methanethione Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H18N2S/c1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3/p+1