ethyl 2-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethanoate tetrafluoroborate

Systemtic Name: ethyl 2-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethanoate tetrafluoroborate Openeye Name: ethyl 2-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)acetate tetrafluoroborate CAS Name: 2-(2-tert-butyl-4,6-diphenyl-1-pyridin-1-iumyl)acetic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2-(2-tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)acetate tetrafluoroborate Traditional Name: 2-(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)acetic acid ethyl ester tetrafluoroborate Formula: C25H28BF4NO2 MolecularWeight: 461.299933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28NO2.BF4/c1-5-28-24(27)18-26-22(20-14-10-7-11-15-20)16-21(17-23(26)25(2,3)4)19-12-8-6-9-13-19;2-1(3,4)5/h6-17H,5,18H2,1-4H3;/q+1;-1