[2-hexadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate tetrafluoroborate

Systemtic Name: [2-hexadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate tetrafluoroborate Openeye Name: [2-hexadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate tetrafluoroborate CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester tetrafluoroborate IUPAC Name: [2-hexadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate tetrafluoroborate Traditional Name: palmitic acid [2-hexadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester tetrafluoroborate Formula: C43H78BF4NO4 MolecularWeight: 759.888333

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H78NO4.BF4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-42(45)47-37-41(36-44-39(4)34-38(3)35-40(44)5)48-43(46)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;2-1(3,4)5/h34-35,41H,6-33,36-37H2,1-5H3;/q+1;-1