ethyl 1,4,6-triphenylpyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1,4,6-triphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1,4,6-triphenylpyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1,4,6-triphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1,4,6-triphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1,4,6-triphenylpyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C26H22BF4NO2 MolecularWeight: 467.262993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22NO2.BF4/c1-2-29-26(28)25-19-22(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27(25)23-16-10-5-11-17-23;2-1(3,4)5/h3-19H,2H2,1H3;/q+1;-1