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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methanethione Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methanethione CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-(methylthio)phenyl]methanethione IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methanethione Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-(methylthio)phenyl]methanethione Formula: C13H19N2S2+ MolecularWeight: 267.43336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)SC

InChI

InChI=1S/C13H18N2S2/c1-14-7-9-15(10-8-14)13(16)11-3-5-12(17-2)6-4-11/h3-6H,7-10H2,1-2H3/p+1