2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-trimethyl-azanium dibromide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-trimethyl-azanium dibromide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-trimethyl-ammonium dibromide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)ethyl-trimethylammonium dibromide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-trimethylazanium dibromide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)ethyl-trimethyl-ammonium dibromide Formula: C12H19Br2N3S MolecularWeight: 397.17236

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=[NH+]C2=CC=CC=C2N1.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCSC1=[NH+]C2=CC=CC=C2N1.[Br-].[Br-]

InChI

InChI=1S/C12H18N3S.2BrH/c1-15(2,3)8-9-16-12-13-10-6-4-5-7-11(10)14-12;;/h4-7H,8-9H2,1-3H3,(H,13,14);2*1H/q+1;;/p-1