ethyl 1-(5-chloranylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate

Systemtic Name: ethyl 1-(5-chloranylpyridin-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 1-(5-chloro-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-(5-chloro-2-pyridinyl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-(5-chloropyridin-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 1-(5-chloro-2-pyridyl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C25H20BClF4N2O2 MolecularWeight: 502.696113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN2O2.BF4/c1-2-30-25(29)23-16-20(18-9-5-3-6-10-18)15-22(19-11-7-4-8-12-19)28(23)24-14-13-21(26)17-27-24;2-1(3,4)5/h3-17H,2H2,1H3;/q+1;-1