1-[3-[bis(fluoranyl)methyl]benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[3-[bis(fluoranyl)methyl]benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[3-(difluoromethyl)-1-benzimidazol-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[3-(difluoromethyl)benzimidazol-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C14H17F2N2O+ MolecularWeight: 267.294386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CN(C2=CC=CC=C21)C(F)F

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CN(C2=CC=CC=C21)C(F)F

InChI

InChI=1S/C14H17F2N2O/c1-14(2,3)12(19)8-17-9-18(13(15)16)11-7-5-4-6-10(11)17/h4-7,9,13H,8H2,1-3H3/q+1