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

Systemtic Name: ethyl 4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4,6-diphenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4,6-diphenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C26H21F3N2O5S MolecularWeight: 530.51555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H21N2O2.CHF3O3S/c1-2-29-25(28)23-18-21(19-11-5-3-6-12-19)17-22(20-13-7-4-8-14-20)27(23)24-15-9-10-16-26-24;2-1(3,4)8(5,6)7/h3-18H,2H2,1H3;(H,5,6,7)/q+1;/p-1