ethyl 1-(4,6-dimethylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-(4,6-dimethylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-(4,6-dimethyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(4,6-dimethyl-2-pyridinyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(4,6-dimethylpyridin-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(4,6-dimethyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C27H25BF4N2O2 MolecularWeight: 496.304213

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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)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2O2.BF4/c1-4-31-27(30)25-18-23(21-11-7-5-8-12-21)17-24(22-13-9-6-10-14-22)29(25)26-16-19(2)15-20(3)28-26;2-1(3,4)5/h5-18H,4H2,1-3H3;/q+1;-1