ethyl 4-(4-methylphenyl)-6-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyridin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 6-phenyl-4-(p-tolyl)-1-(2-pyridyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4-(4-methylphenyl)-6-phenyl-1-(2-pyridinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyridin-2-ylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 6-phenyl-4-(p-tolyl)-1-(2-pyridyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C26H23BF4N2O2 MolecularWeight: 482.277633

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H23N2O2.BF4/c1-3-30-26(29)24-18-22(20-14-12-19(2)13-15-20)17-23(21-9-5-4-6-10-21)28(24)25-11-7-8-16-27-25;2-1(3,4)5/h4-18H,3H2,1-2H3;/q+1;-1