methyl 4-methoxy-1-prop-2-enyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 4-methoxy-1-prop-2-enyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-allyl-4-methoxy-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4-methoxy-1-prop-2-enyl-2-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 4-methoxy-1-prop-2-enylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-allyl-4-methoxy-pyridin-1-ium-2-carboxylic acid methyl ester triflate Formula: C12H14F3NO6S MolecularWeight: 357.30287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=[N+](C=C1)CC=C)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=[N+](C=C1)CC=C)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14NO3.CHF3O3S/c1-4-6-12-7-5-9(14-2)8-10(12)11(13)15-3;2-1(3,4)8(5,6)7/h4-5,7-8H,1,6H2,2-3H3;(H,5,6,7)/q+1;/p-1