2-[3-[bis(fluoranyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(4-bromophenyl)-2-[3-(difluoromethyl)-1-benzimidazol-1-iumyl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]ethanone Formula: C16H12BrF2N2O+ MolecularWeight: 366.180086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C=[N+]2CC(=O)C3=CC=C(C=C3)Br)C(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C=[N+]2CC(=O)C3=CC=C(C=C3)Br)C(F)F

InChI

InChI=1S/C16H12BrF2N2O/c17-12-7-5-11(6-8-12)15(22)9-20-10-21(16(18)19)14-4-2-1-3-13(14)20/h1-8,10,16H,9H2/q+1