ethyl 2-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 2-bromanyl-1-methyl-pyridin-1-ium-4-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 2-bromo-1-methyl-pyridin-1-ium-4-carboxylate; trifluoromethanesulfonate CAS Name: 2-bromo-1-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 2-bromo-1-methylpyridin-1-ium-4-carboxylate; trifluoromethanesulfonate Traditional Name: 2-bromo-1-methyl-pyridin-1-ium-4-carboxylic acid ethyl ester triflate Formula: C10H11BrF3NO5S MolecularWeight: 394.16225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrNO2.CHF3O3S/c1-3-13-9(12)7-4-5-11(2)8(10)6-7;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1