2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-1-ium-2-ylamino)-1-(4-fluorophenyl)ethanone bromide Formula: C15H13BrFN3O MolecularWeight: 350.185623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C(=N2)NCC(=O)C3=CC=C(C=C3)F.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C(=N2)NCC(=O)C3=CC=C(C=C3)F.[Br-]

InChI

InChI=1S/C15H12FN3O.BrH/c16-11-7-5-10(6-8-11)14(20)9-17-15-18-12-3-1-2-4-13(12)19-15;/h1-8H,9H2,(H2,17,18,19);1H