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

Systemtic Name: 1-(furan-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(2-furyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-furanyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(furan-2-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(2-furyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=CO3)NCCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC=CO3)NCCO.[Br-]

InChI

InChI=1S/C15H15N3O3.BrH/c19-8-7-16-15-17-11-4-1-2-5-12(11)18(15)10-13(20)14-6-3-9-21-14;/h1-6,9,19H,7-8,10H2,(H,16,17);1H