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

Systemtic Name: ethyl 4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-benzyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-benzyl-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-benzyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C28H24F3NO5S MolecularWeight: 543.55407

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24NO2.CHF3O3S/c1-2-30-27(29)26-19-24(22-14-8-4-9-15-22)18-25(23-16-10-5-11-17-23)28(26)20-21-12-6-3-7-13-21;2-1(3,4)8(5,6)7/h3-19H,2,20H2,1H3;(H,5,6,7)/q+1;/p-1