ethyl 6-(4-methoxyphenyl)-4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 6-(4-methoxyphenyl)-4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 6-(4-methoxyphenyl)-4-phenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 6-(4-methoxyphenyl)-4-phenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 6-(4-methoxyphenyl)-4-phenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 6-(4-methoxyphenyl)-4-phenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C27H23F3N2O6S MolecularWeight: 560.54153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H23N2O3.CHF3O3S/c1-3-31-26(29)24-18-21(19-9-5-4-6-10-19)17-23(20-12-14-22(30-2)15-13-20)28(24)25-11-7-8-16-27-25;2-1(3,4)8(5,6)7/h4-18H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1