1-[2-(4-fluorophenyl)-3-methyl-benzimidazol-3-ium-1-yl]propan-2-one bromide

Systemtic Name: 1-[2-(4-fluorophenyl)-3-methyl-benzimidazol-3-ium-1-yl]propan-2-one bromide Openeye Name: 1-[2-(4-fluorophenyl)-3-methyl-benzimidazol-3-ium-1-yl]propan-2-one bromide CAS Name: 1-[2-(4-fluorophenyl)-3-methyl-1-benzimidazol-3-iumyl]-2-propanone bromide IUPAC Name: 1-[2-(4-fluorophenyl)-3-methylbenzimidazol-3-ium-1-yl]propan-2-one bromide Traditional Name: 1-[2-(4-fluorophenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetone bromide Formula: C17H16BrFN2O MolecularWeight: 363.224143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)F)C.[Br-]

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)F)C.[Br-]

InChI

InChI=1S/C17H16FN2O.BrH/c1-12(21)11-20-16-6-4-3-5-15(16)19(2)17(20)13-7-9-14(18)10-8-13;/h3-10H,11H2,1-2H3;1H/q+1;/p-1