ethyl 1-(5-methylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-(5-methylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-(5-methyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(5-methyl-2-pyridinyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(5-methylpyridin-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(5-methyl-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C26H23BF4N2O2 MolecularWeight: 482.277633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N2O2.BF4/c1-3-30-26(29)24-17-22(20-10-6-4-7-11-20)16-23(21-12-8-5-9-13-21)28(24)25-15-14-19(2)18-27-25;2-1(3,4)5/h4-18H,3H2,1-2H3;/q+1;-1