3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethyl-azanium bromide hydrobromide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethyl-azanium bromide hydrobromide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethyl-ammonium bromide hydrobromide CAS Name: 3-(1H-benzimidazol-2-ylthio)propyl-trimethylammonium bromide hydrobromide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethylazanium bromide hydrobromide Traditional Name: 3-(1H-benzimidazol-2-ylthio)propyl-trimethyl-ammonium bromide hydrobromide Formula: C13H21Br2N3S MolecularWeight: 411.19894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCSC1=NC2=CC=CC=C2N1.Br.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCSC1=NC2=CC=CC=C2N1.Br.[Br-]

InChI

InChI=1S/C13H20N3S.2BrH/c1-16(2,3)9-6-10-17-13-14-11-7-4-5-8-12(11)15-13;;/h4-5,7-8H,6,9-10H2,1-3H3,(H,14,15);2*1H/q+1;;/p-1