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

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C27H21BF4N2O2S MolecularWeight: 524.337453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N2O2S.BF4/c1-2-31-26(30)24-18-21(19-11-5-3-6-12-19)17-23(20-13-7-4-8-14-20)29(24)27-28-22-15-9-10-16-25(22)32-27;2-1(3,4)5/h3-18H,2H2,1H3;/q+1;-1