diethyl 4-phenyl-1-(phenylmethyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate

Systemtic Name: diethyl 4-phenyl-1-(phenylmethyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Openeye Name: diethyl 1-benzyl-4-phenyl-pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate CAS Name: 4-phenyl-1-(phenylmethyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate IUPAC Name: diethyl 1-benzyl-4-phenylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Traditional Name: 1-benzyl-4-phenyl-pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate Formula: C24H24BF4NO4 MolecularWeight: 477.256273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NO4.BF4/c1-3-28-23(26)21-15-20(19-13-9-6-10-14-19)16-22(24(27)29-4-2)25(21)17-18-11-7-5-8-12-18;2-1(3,4)5/h5-16H,3-4,17H2,1-2H3;/q+1;-1