methyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 1-benzylpyridin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 1-benzylpyridin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid methyl ester triflate Formula: C15H14F3NO5S MolecularWeight: 377.33557

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H14NO2.CHF3O3S/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;2-1(3,4)8(5,6)7/h2-9,11H,10H2,1H3;(H,5,6,7)/q+1;/p-1