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

Systemtic Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate Openeye Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate CAS Name: octadecanoic acid [2-(1-oxooctadecoxy)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester IUPAC Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate Traditional Name: stearic acid [2-stearoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester Formula: C47H86NO4+ MolecularWeight: 729.19004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+]1=C(C=C(C=C1C)C)C)OC(=O)CCCCCCCCCCCCCCCCC

InChI

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