1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C17H17BrClN3O2 MolecularWeight: 410.69278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2.BrH/c18-13-7-5-12(6-8-13)16(23)11-21-15-4-2-1-3-14(15)20-17(21)19-9-10-22;/h1-8,22H,9-11H2,(H,19,20);1H