[2-acetyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] ethanoate tetrafluoroborate

Systemtic Name: [2-acetyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] ethanoate tetrafluoroborate Openeye Name: [2-acetoxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] acetate tetrafluoroborate CAS Name: acetic acid [2-acetyloxy-3-(2,4,6-triphenyl-1-pyridin-1-iumyl)propyl] ester tetrafluoroborate IUPAC Name: [2-acetyloxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] acetate tetrafluoroborate Traditional Name: acetic acid [2-acetoxy-3-(2,4,6-triphenylpyridin-1-ium-1-yl)propyl] ester tetrafluoroborate Formula: C30H28BF4NO4 MolecularWeight: 553.352233

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)OCC(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(=O)OCC(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/C30H28NO4.BF4/c1-22(32)34-21-28(35-23(2)33)20-31-29(25-14-8-4-9-15-25)18-27(24-12-6-3-7-13-24)19-30(31)26-16-10-5-11-17-26;2-1(3,4)5/h3-19,28H,20-21H2,1-2H3;/q+1;-1