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

Systemtic Name: ethyl 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1-butyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 1-butyl-4,6-diphenylpyridin-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester triflate Formula: C25H26F3NO5S MolecularWeight: 509.53785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H26NO2.CHF3O3S/c1-3-5-16-25-22(20-14-10-7-11-15-20)17-21(19-12-8-6-9-13-19)18-23(25)24(26)27-4-2;2-1(3,4)8(5,6)7/h6-15,17-18H,3-5,16H2,1-2H3;(H,5,6,7)/q+1;/p-1