3-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H26ClN4OS+ MolecularWeight: 369.93254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H25ClN4OS/c1-20(2)9-5-8-19-17(24)22-12-10-21(11-13-22)16(23)14-6-3-4-7-15(14)18/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,24)/p+1