ethyl 4,6-diphenyl-1-propan-2-yl-pyridin-1-ium-3-carboxylate tetrafluoroborate

Systemtic Name: ethyl 4,6-diphenyl-1-propan-2-yl-pyridin-1-ium-3-carboxylate tetrafluoroborate Openeye Name: ethyl 1-isopropyl-4,6-diphenyl-pyridin-1-ium-3-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-propan-2-yl-3-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4,6-diphenyl-1-propan-2-ylpyridin-1-ium-3-carboxylate tetrafluoroborate Traditional Name: 1-isopropyl-4,6-diphenyl-pyridin-1-ium-3-carboxylic acid ethyl ester tetrafluoroborate Formula: C23H24BF4NO2 MolecularWeight: 433.246773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=C[N+](=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=C[N+](=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H24NO2.BF4/c1-4-26-23(25)21-16-24(17(2)3)22(19-13-9-6-10-14-19)15-20(21)18-11-7-5-8-12-18;2-1(3,4)5/h5-17H,4H2,1-3H3;/q+1;-1