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

Systemtic Name: ethyl 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-methyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-methyl-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C22H20F3NO5S MolecularWeight: 467.45811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO2.CHF3O3S/c1-3-24-21(23)20-15-18(16-10-6-4-7-11-16)14-19(22(20)2)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-15H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1