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

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C18H29N5S2+2 MolecularWeight: 379.58636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5S2/c1-21(2)9-5-8-19-18(24)23-12-10-22(11-13-23)14-17-20-15-6-3-4-7-16(15)25-17/h3-4,6-7H,5,8-14H2,1-2H3,(H,19,24)/p+2