ethyl 6-tert-butyl-4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 6-tert-butyl-4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 6-tert-butyl-4-phenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 6-tert-butyl-4-phenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 6-tert-butyl-4-phenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 6-tert-butyl-4-phenyl-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C23H25BF4N2O2 MolecularWeight: 448.261413

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=[N+](C(=CC(=C1)C2=CC=CC=C2)C(C)(C)C)C3=CC=CC=N3

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=[N+](C(=CC(=C1)C2=CC=CC=C2)C(C)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C23H25N2O2.BF4/c1-5-27-22(26)19-15-18(17-11-7-6-8-12-17)16-20(23(2,3)4)25(19)21-13-9-10-14-24-21;2-1(3,4)5/h6-16H,5H2,1-4H3;/q+1;-1