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

Systemtic Name: ethyl 4,6-diphenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(2-pyrimidinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-pyrimidin-2-ylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-(2-pyrimidyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C24H20BF4N3O2 MolecularWeight: 469.239113

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H20N3O2.BF4/c1-2-29-23(28)22-17-20(18-10-5-3-6-11-18)16-21(19-12-7-4-8-13-19)27(22)24-25-14-9-15-26-24;2-1(3,4)5/h3-17H,2H2,1H3;/q+1;-1