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

Systemtic Name: 1-(3-methoxyphenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3.BrH/c1-25-15-7-4-6-14(12-15)18(24)13-22-17-9-3-2-8-16(17)21-19(22)20-10-5-11-23;/h2-4,6-9,12,23H,5,10-11,13H2,1H3,(H,20,21);1H