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

Systemtic Name: ethyl 1,2,6-triphenylpyridin-1-ium-4-carboxylate tetrafluoroborate Openeye Name: ethyl 1,2,6-triphenylpyridin-1-ium-4-carboxylate tetrafluoroborate CAS Name: 1,2,6-triphenyl-4-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1,2,6-triphenylpyridin-1-ium-4-carboxylate tetrafluoroborate Traditional Name: 1,2,6-triphenylpyridin-1-ium-4-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(=[N+](C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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