ethyl 1-[(2-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-[(2-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-[(2-chlorophenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-[(2-chlorophenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-[(2-chlorophenyl)methyl]-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(2-chlorobenzyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C27H23BClF4NO2 MolecularWeight: 515.734633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClNO2.BF4/c1-2-31-27(30)26-18-23(20-11-5-3-6-12-20)17-25(21-13-7-4-8-14-21)29(26)19-22-15-9-10-16-24(22)28;2-1(3,4)5/h3-18H,2,19H2,1H3;/q+1;-1