2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H27N5S2+2 MolecularWeight: 365.55978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H25N5S2/c1-20(2)8-7-18-17(23)22-11-9-21(10-12-22)13-16-19-14-5-3-4-6-15(14)24-16/h3-6H,7-13H2,1-2H3,(H,18,23)/p+2