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

Systemtic Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate tetrafluoroborate Openeye Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate tetrafluoroborate CAS Name: octadecanoic acid [3-(1-oxooctadecoxy)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester tetrafluoroborate IUPAC Name: [3-octadecanoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate tetrafluoroborate Traditional Name: stearic acid [3-stearoyloxy-2-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester tetrafluoroborate Formula: C47H86BF4NO4 MolecularWeight: 815.994653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H86NO4.BF4/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;/q+1;-1