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

Systemtic Name: ethyl 4,6-diphenyl-1-(1,3-thiazol-2-yl)pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-thiazol-2-yl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(2-thiazolyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-(1,3-thiazol-2-yl)pyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-thiazol-2-yl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C23H19BF4N2O2S MolecularWeight: 474.278773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CS2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CS2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N2O2S.BF4/c1-2-27-22(26)21-16-19(17-9-5-3-6-10-17)15-20(18-11-7-4-8-12-18)25(21)23-24-13-14-28-23;2-1(3,4)5/h3-16H,2H2,1H3;/q+1;-1