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

Systemtic Name: ethyl 1,4-bis(4-methylphenyl)-6-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 6-phenyl-1,4-bis(p-tolyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1,4-bis(4-methylphenyl)-6-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1,4-bis(4-methylphenyl)-6-phenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 6-phenyl-1,4-bis(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C28H26BF4NO2 MolecularWeight: 495.316153

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H26NO2.BF4/c1-4-31-28(30)27-19-24(22-14-10-20(2)11-15-22)18-26(23-8-6-5-7-9-23)29(27)25-16-12-21(3)13-17-25;2-1(3,4)5/h5-19H,4H2,1-3H3;/q+1;-1