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

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C16H26ClN4S+ MolecularWeight: 341.92244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H25ClN4S/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22)/p+1