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

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[3-(difluoromethyl)-1-benzimidazol-1-iumyl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C17H15F2N2O2+ MolecularWeight: 317.310006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C3=CC=CC=C32)C(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C3=CC=CC=C32)C(F)F

InChI

InChI=1S/C17H15F2N2O2/c1-23-13-8-6-12(7-9-13)16(22)10-20-11-21(17(18)19)15-5-3-2-4-14(15)20/h2-9,11,17H,10H2,1H3/q+1