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

Systemtic Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(3-chlorobenzyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H29ClN4S+2 MolecularWeight: 356.95696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H27ClN4S/c1-20(2)8-4-7-19-17(23)22-11-9-21(10-12-22)14-15-5-3-6-16(18)13-15/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,23)/p+2