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

Systemtic Name: [3-hexadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate Openeye Name: [3-hexadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate CAS Name: hexadecanoic acid [3-(1-oxohexadecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester perchlorate IUPAC Name: [3-hexadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] hexadecanoate perchlorate Traditional Name: palmitic acid [3-hexadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester perchlorate Formula: C43H78ClNO8 MolecularWeight: 772.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H78NO4.ClHO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-42(45)47-36-41(44-39(4)34-38(3)35-40(44)5)37-48-43(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;(H,2,3,4,5)/q+1;/p-1