1-(2,4,6-triphenylpyridin-1-ium-1-yl)propan-2-yl ethanoate tetrafluoroborate

Systemtic Name: 1-(2,4,6-triphenylpyridin-1-ium-1-yl)propan-2-yl ethanoate tetrafluoroborate Openeye Name: [1-methyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl] acetate tetrafluoroborate CAS Name: acetic acid 1-(2,4,6-triphenyl-1-pyridin-1-iumyl)propan-2-yl ester tetrafluoroborate IUPAC Name: 1-(2,4,6-triphenylpyridin-1-ium-1-yl)propan-2-yl acetate tetrafluoroborate Traditional Name: acetic acid [1-methyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl] ester tetrafluoroborate Formula: C28H26BF4NO2 MolecularWeight: 495.316153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26NO2.BF4/c1-21(31-22(2)30)20-29-27(24-14-8-4-9-15-24)18-26(23-12-6-3-7-13-23)19-28(29)25-16-10-5-11-17-25;2-1(3,4)5/h3-19,21H,20H2,1-2H3;/q+1;-1