[2-tetradecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate hexafluorophosphate

Systemtic Name: [2-tetradecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate hexafluorophosphate Openeye Name: [2-tetradecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate hexafluorophosphate CAS Name: tetradecanoic acid [2-(1-oxotetradecoxy)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester hexafluorophosphate IUPAC Name: [2-tetradecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate hexafluorophosphate Traditional Name: myristic acid [2-tetradecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester hexafluorophosphate Formula: C39H70F6NO4P MolecularWeight: 761.94158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C39H70NO4.F6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-38(41)43-33-37(32-40-35(4)30-34(3)31-36(40)5)44-39(42)29-27-25-23-21-19-17-15-13-11-9-7-2;1-7(2,3,4,5)6/h30-31,37H,6-29,32-33H2,1-5H3;/q+1;-1