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

Systemtic Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Openeye Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCO.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCO.[Br-]

InChI

InChI=1S/C18H19N3O3.BrH/c1-24-14-6-4-5-13(11-14)17(23)12-21-16-8-3-2-7-15(16)20-18(21)19-9-10-22;/h2-8,11,22H,9-10,12H2,1H3,(H,19,20);1H