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

Systemtic Name: ethyl 1-phenethyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-phenethyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-phenethyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-phenethyl-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-phenethyl-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+]1CCC2=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+]1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H26NO2.CHF3O3S/c1-2-31-28(30)27-21-25(23-14-8-4-9-15-23)20-26(24-16-10-5-11-17-24)29(27)19-18-22-12-6-3-7-13-22;2-1(3,4)8(5,6)7/h3-17,20-21H,2,18-19H2,1H3;(H,5,6,7)/q+1;/p-1