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

Systemtic Name: ethyl 4,6-diphenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4,6-diphenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4,6-diphenyl-1-(2-pyrimidinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4,6-diphenyl-1-pyrimidin-2-ylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4,6-diphenyl-1-(2-pyrimidyl)pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C25H20F3N3O5S MolecularWeight: 531.50361

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H20N3O2.CHF3O3S/c1-2-29-23(28)22-17-20(18-10-5-3-6-11-18)16-21(19-12-7-4-8-13-19)27(22)24-25-14-9-15-26-24;2-1(3,4)8(5,6)7/h3-17H,2H2,1H3;(H,5,6,7)/q+1;/p-1