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

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-diethyl-azanium dibromide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-diethyl-ammonium dibromide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)ethyl-diethylammonium dibromide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-diethylazanium dibromide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)ethyl-diethyl-ammonium dibromide Formula: C13H21Br2N3S MolecularWeight: 411.19894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S.2BrH/c1-3-16(4-2)9-10-17-13-14-11-7-5-6-8-12(11)15-13;;/h5-8H,3-4,9-10H2,1-2H3,(H,14,15);2*1H