ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(3-pyridinylmethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-(3-pyridylmethyl)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C26H23BF4N2O2 MolecularWeight: 482.277633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N2O2.BF4/c1-2-30-26(29)25-17-23(21-11-5-3-6-12-21)16-24(22-13-7-4-8-14-22)28(25)19-20-10-9-15-27-18-20;2-1(3,4)5/h3-18H,2,19H2,1H3;/q+1;-1