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

Systemtic Name: ethyl 2,6-diphenyl-1-prop-2-enyl-pyridin-1-ium-4-carboxylate tetrafluoroborate Openeye Name: ethyl 1-allyl-2,6-diphenyl-pyridin-1-ium-4-carboxylate tetrafluoroborate CAS Name: 2,6-diphenyl-1-prop-2-enyl-4-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2,6-diphenyl-1-prop-2-enylpyridin-1-ium-4-carboxylate tetrafluoroborate Traditional Name: 1-allyl-2,6-diphenyl-pyridin-1-ium-4-carboxylic acid ethyl ester tetrafluoroborate Formula: C23H22BF4NO2 MolecularWeight: 431.230893

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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)CC=C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H22NO2.BF4/c1-3-15-24-21(18-11-7-5-8-12-18)16-20(23(25)26-4-2)17-22(24)19-13-9-6-10-14-19;2-1(3,4)5/h3,5-14,16-17H,1,4,15H2,2H3;/q+1;-1