4-methyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-methyl-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19N3S/c1-11-5-3-4-6-12(11)14-13(17)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)/p+1