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

Systemtic Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C17H17Br2N3O2 MolecularWeight: 455.14378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O2.BrH/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22;/h1-7,10,22H,8-9,11H2,(H,19,20);1H