ethyl 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-methyl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-methyl-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-methyl-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C21H20BF4NO2 MolecularWeight: 405.193613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO2.BF4/c1-3-24-21(23)20-15-18(16-10-6-4-7-11-16)14-19(22(20)2)17-12-8-5-9-13-17;2-1(3,4)5/h4-15H,3H2,1-2H3;/q+1;-1