1-(4-methoxyphenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-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-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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