diethyl 1,4-diphenylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate

Systemtic Name: diethyl 1,4-diphenylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Openeye Name: diethyl 1,4-diphenylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate CAS Name: 1,4-diphenylpyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate IUPAC Name: diethyl 1,4-diphenylpyridin-1-ium-2,6-dicarboxylate tetrafluoroborate Traditional Name: 1,4-diphenylpyridin-1-ium-2,6-dicarboxylic acid diethyl ester tetrafluoroborate Formula: C23H22BF4NO4 MolecularWeight: 463.229693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22NO4.BF4/c1-3-27-22(25)20-15-18(17-11-7-5-8-12-17)16-21(23(26)28-4-2)24(20)19-13-9-6-10-14-19;2-1(3,4)5/h5-16H,3-4H2,1-2H3;/q+1;-1