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

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4,6-diphenyl-1-(p-tolylmethyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-[(4-methylphenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-[(4-methylphenyl)methyl]-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-(4-methylbenzyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C29H26F3NO5S MolecularWeight: 557.58065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H26NO2.CHF3O3S/c1-3-31-28(30)27-19-25(23-10-6-4-7-11-23)18-26(24-12-8-5-9-13-24)29(27)20-22-16-14-21(2)15-17-22;2-1(3,4)8(5,6)7/h4-19H,3,20H2,1-2H3;(H,5,6,7)/q+1;/p-1