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

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Openeye Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide CAS Name: 2-[3-(difluoromethyl)-2-methyl-1-benzimidazol-1-iumyl]-1-(4-ethylphenyl)ethanone bromide IUPAC Name: 2-[3-(difluoromethyl)-2-methylbenzimidazol-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Traditional Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-ethylphenyl)ethanone bromide Formula: C19H19BrF2N2O MolecularWeight: 409.267766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)C(F)F)C.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)C(F)F)C.[Br-]

InChI

InChI=1S/C19H19F2N2O.BrH/c1-3-14-8-10-15(11-9-14)18(24)12-22-13(2)23(19(20)21)17-7-5-4-6-16(17)22;/h4-11,19H,3,12H2,1-2H3;1H/q+1;/p-1