3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H28ClN4S+ MolecularWeight: 355.94902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H27ClN4S/c1-14-5-6-15(18)13-16(14)21-9-11-22(12-10-21)17(23)19-7-4-8-20(2)3/h5-6,13H,4,7-12H2,1-3H3,(H,19,23)/p+1