dimethyl-[3-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(2-methylphenyl)piperazine-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]propyl]ammonium Formula: C17H29N4S+ MolecularWeight: 321.50396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H28N4S/c1-15-7-4-5-8-16(15)20-11-13-21(14-12-20)17(22)18-9-6-10-19(2)3/h4-5,7-8H,6,9-14H2,1-3H3,(H,18,22)/p+1