1-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(2-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(o-tolyl)thiourea Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN2CC[NH+](CC2)C

InChI

InChI=1S/C13H20N4S/c1-11-5-3-4-6-12(11)14-13(18)15-17-9-7-16(2)8-10-17/h3-6H,7-10H2,1-2H3,(H2,14,15,18)/p+1