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

Systemtic Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate hexafluorophosphate Openeye Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate hexafluorophosphate CAS Name: octadecanoic acid [2-(1-oxooctadecoxy)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester hexafluorophosphate IUPAC Name: [2-octadecanoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] octadecanoate hexafluorophosphate Traditional Name: stearic acid [2-stearoyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester hexafluorophosphate Formula: C47H86F6NO4P MolecularWeight: 874.15422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H86NO4.F6P/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;1-7(2,3,4,5)6/h38-39,45H,6-37,40-41H2,1-5H3;/q+1;-1