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

Systemtic Name: (3-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(m-tolyl)methanethione CAS Name: (3-methylphenyl)-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: (3-methylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(m-tolyl)methanethione Formula: C13H19N2S+ MolecularWeight: 235.36836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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