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

Systemtic Name: ethyl 4,6-diphenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C25H21BF4N2O2 MolecularWeight: 468.251053

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N2O2.BF4/c1-2-29-25(28)23-18-21(19-11-5-3-6-12-19)17-22(20-13-7-4-8-14-20)27(23)24-15-9-10-16-26-24;2-1(3,4)5/h3-18H,2H2,1H3;/q+1;-1