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

Systemtic Name: ethyl 4,6-diphenyl-1-(1-phenylethylamino)pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-(1-phenylethylamino)pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(1-phenylethylamino)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-(1-phenylethylamino)pyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-(1-phenylethylamino)pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C28H27BF4N2O2 MolecularWeight: 510.330793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O2.BF4/c1-3-32-28(31)27-20-25(23-15-9-5-10-16-23)19-26(24-17-11-6-12-18-24)30(27)29-21(2)22-13-7-4-8-14-22;2-1(3,4)5/h4-21H,3H2,1-2H3;/q;-1/p+1