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

Systemtic Name: ethyl 1-butan-2-yl-4,6-diphenyl-pyridin-1-ium-2-carboxylate tetrafluoroborate Openeye Name: ethyl 4,6-diphenyl-1-sec-butyl-pyridin-1-ium-2-carboxylate tetrafluoroborate CAS Name: 1-butan-2-yl-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 1-butan-2-yl-4,6-diphenylpyridin-1-ium-2-carboxylate tetrafluoroborate Traditional Name: 4,6-diphenyl-1-sec-butyl-pyridin-1-ium-2-carboxylic acid ethyl ester tetrafluoroborate Formula: C24H26BF4NO2 MolecularWeight: 447.273353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC(C)[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CCC(C)[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26NO2.BF4/c1-4-18(3)25-22(20-14-10-7-11-15-20)16-21(19-12-8-6-9-13-19)17-23(25)24(26)27-5-2;2-1(3,4)5/h6-18H,4-5H2,1-3H3;/q+1;-1