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

Systemtic Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 6-phenyl-4-(p-tolyl)-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4-(4-methylphenyl)-6-phenyl-1-(2-pyrimidinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyrimidin-2-ylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 6-phenyl-4-(p-tolyl)-1-(2-pyrimidyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C25H22BF4N3O2 MolecularWeight: 483.265693

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H22N3O2.BF4/c1-3-30-24(29)23-17-21(19-12-10-18(2)11-13-19)16-22(20-8-5-4-6-9-20)28(23)25-26-14-7-15-27-25;2-1(3,4)5/h4-17H,3H2,1-2H3;/q+1;-1