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

Systemtic Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate iodide Openeye Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate iodide CAS Name: tetradecanoic acid [3-(1-oxotetradecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester iodide IUPAC Name: [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] tetradecanoate iodide Traditional Name: myristic acid [3-tetradecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester iodide Formula: C39H70INO4 MolecularWeight: 743.88187

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C39H70NO4.HI/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;/h30-31,37H,6-29,32-33H2,1-5H3;1H/q+1;/p-1