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

Systemtic Name: 1-(furan-2-yl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(2-furyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(2-furanyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(furan-2-yl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(2-furyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3.BrH/c20-9-4-8-17-16-18-12-5-1-2-6-13(12)19(16)11-14(21)15-7-3-10-22-15;/h1-3,5-7,10,20H,4,8-9,11H2,(H,17,18);1H