methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-but-3-enyl-4-methoxy-2-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 1-but-3-enyl-4-methoxypyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylic acid methyl ester triflate Formula: C13H16F3NO6S MolecularWeight: 371.32945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3.CHF3O3S/c1-4-5-7-13-8-6-10(15-2)9-11(13)12(14)16-3;2-1(3,4)8(5,6)7/h4,6,8-9H,1,5,7H2,2-3H3;(H,5,6,7)/q+1;/p-1