2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=CS3)NCCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=CS3)NCCO.[Br-]

InChI

InChI=1S/C15H15N3O2S.BrH/c19-8-7-16-15-17-11-4-1-2-5-12(11)18(15)10-13(20)14-6-3-9-21-14;/h1-6,9,19H,7-8,10H2,(H,16,17);1H