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

Systemtic Name: 1-(3-bromophenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C18H19Br2N3O2 MolecularWeight: 469.17036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2.BrH/c19-14-6-3-5-13(11-14)17(24)12-22-16-8-2-1-7-15(16)21-18(22)20-9-4-10-23;/h1-3,5-8,11,23H,4,9-10,12H2,(H,20,21);1H