ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 4,6-diphenyl-1-(3-pyridinylmethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C27H23F3N2O5S MolecularWeight: 544.54213

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H23N2O2.CHF3O3S/c1-2-30-26(29)25-17-23(21-11-5-3-6-12-21)16-24(22-13-7-4-8-14-22)28(25)19-20-10-9-15-27-18-20;2-1(3,4)8(5,6)7/h3-18H,2,19H2,1H3;(H,5,6,7)/q+1;/p-1