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

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]-2-methyl-benzimidazol-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[3-(difluoromethyl)-2-methyl-1-benzimidazol-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[3-(difluoromethyl)-2-methylbenzimidazol-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C15H13BrF2N2OS MolecularWeight: 387.242326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1C(F)F)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1C(F)F)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C15H13F2N2OS.BrH/c1-10-18(9-13(20)14-7-4-8-21-14)11-5-2-3-6-12(11)19(10)15(16)17;/h2-8,15H,9H2,1H3;1H/q+1;/p-1