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

Systemtic Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate perchlorate Openeye Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate perchlorate CAS Name: tetradecanoic acid [3-(1-oxotetradecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester perchlorate IUPAC Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate perchlorate Traditional Name: myristic acid [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester perchlorate Formula: C39H70ClNO8 MolecularWeight: 716.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)[N+]1=C(C=C(C=C1C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)[N+]1=C(C=C(C=C1C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H70NO4.ClHO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-38(41)43-32-37(40-35(4)30-34(3)31-36(40)5)33-44-39(42)29-27-25-23-21-19-17-15-13-11-9-7-2;2-1(3,4)5/h30-31,37H,6-29,32-33H2,1-5H3;(H,2,3,4,5)/q+1;/p-1