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

Systemtic Name: diethyl 4-(4-methylphenyl)-1-(phenylmethyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Openeye Name: diethyl 1-benzyl-4-(p-tolyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate CAS Name: 4-(4-methylphenyl)-1-(phenylmethyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate IUPAC Name: diethyl 1-benzyl-4-(4-methylphenyl)pyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Traditional Name: 1-benzyl-4-(p-tolyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate Formula: C25H26BF4NO4 MolecularWeight: 491.282853

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26NO4.BF4/c1-4-29-24(27)22-15-21(20-13-11-18(3)12-14-20)16-23(25(28)30-5-2)26(22)17-19-9-7-6-8-10-19;2-1(3,4)5/h6-16H,4-5,17H2,1-3H3;/q+1;-1