ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate

Systemtic Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate Openeye Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanoic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate tetrafluoroborate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyric acid ethyl ester tetrafluoroborate Formula: C29H28BF4NO2 MolecularWeight: 509.342733

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28NO2.BF4/c1-2-32-29(31)19-12-20-30-27(24-15-8-4-9-16-24)21-26(23-13-6-3-7-14-23)22-28(30)25-17-10-5-11-18-25;2-1(3,4)5/h3-11,13-18,21-22H,2,12,19-20H2,1H3;/q+1;-1