1-(2-fluoranyl-1-methyl-pyridin-1-ium-3-yl)ethanone; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(2-fluoranyl-1-methyl-pyridin-1-ium-3-yl)ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-(2-fluoro-1-methyl-pyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate CAS Name: 1-(2-fluoro-1-methyl-3-pyridin-1-iumyl)ethanone; trifluoromethanesulfonate IUPAC Name: 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate Traditional Name: 1-(2-fluoro-1-methyl-pyridin-1-ium-3-yl)ethanone triflate Formula: C9H9F4NO4S MolecularWeight: 303.230673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+](=CC=C1)C)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C([N+](=CC=C1)C)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H9FNO.CHF3O3S/c1-6(11)7-4-3-5-10(2)8(7)9;2-1(3,4)8(5,6)7/h3-5H,1-2H3;(H,5,6,7)/q+1;/p-1