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

Systemtic Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate perchlorate Openeye Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate perchlorate CAS Name: octadecanoic acid [3-(1-oxooctadecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester perchlorate IUPAC Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate perchlorate Traditional Name: stearic acid [3-stearoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester perchlorate Formula: C47H86ClNO8 MolecularWeight: 828.64064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H86NO4.ClHO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-46(49)51-40-45(48-43(4)38-42(3)39-44(48)5)41-52-47(50)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;2-1(3,4)5/h38-39,45H,6-37,40-41H2,1-5H3;(H,2,3,4,5)/q+1;/p-1