diethyl 4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate

Systemtic Name: diethyl 4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Openeye Name: diethyl 4-phenyl-1-(2-pyridyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate CAS Name: 4-phenyl-1-(2-pyridinyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate IUPAC Name: diethyl 4-phenyl-1-pyridin-2-ylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Traditional Name: 4-phenyl-1-(2-pyridyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate Formula: C22H21BF4N2O4 MolecularWeight: 464.217753

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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)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N2O4.BF4/c1-3-27-21(25)18-14-17(16-10-6-5-7-11-16)15-19(22(26)28-4-2)24(18)20-12-8-9-13-23-20;2-1(3,4)5/h5-15H,3-4H2,1-2H3;/q+1;-1