ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4-phenyl-6-(p-tolyl)-1-(p-tolylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 6-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-phenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(4-methylbenzyl)-4-phenyl-6-(p-tolyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C29H28BF4NO2 MolecularWeight: 509.342733

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H28NO2.BF4/c1-4-32-29(31)28-19-26(24-8-6-5-7-9-24)18-27(25-16-12-22(3)13-17-25)30(28)20-23-14-10-21(2)11-15-23;2-1(3,4)5/h5-19H,4,20H2,1-3H3;/q+1;-1