ethyl 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-butyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-butyl-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-butyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C24H26BF4NO2 MolecularWeight: 447.273353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26NO2.BF4/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)5/h6-15,17-18H,3-5,16H2,1-2H3;/q+1;-1