ethyl 4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-benzyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-benzyl-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-benzyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C27H24BF4NO2 MolecularWeight: 481.289573

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC(=CC(=[N+]1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24NO2.BF4/c1-2-30-27(29)26-19-24(22-14-8-4-9-15-22)18-25(23-16-10-5-11-17-23)28(26)20-21-12-6-3-7-13-21;2-1(3,4)5/h3-19H,2,20H2,1H3;/q+1;-1