[2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-oxidanylidene-ethyl]-trimethyl-azanium

Systemtic Name: [2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: trimethyl-[2-[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethoxy]-2-oxo-ethyl]ammonium CAS Name: [2-[1,3-bis(1-oxooctadecoxy)propan-2-yloxy]-2-oxoethyl]-trimethylammonium IUPAC Name: [2-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-oxoethyl]-trimethylazanium Traditional Name: [2-keto-2-[2-stearoyloxy-1-(stearoyloxymethyl)ethoxy]ethyl]-trimethyl-ammonium Formula: C44H86NO6+ MolecularWeight: 725.15674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H86NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(46)49-39-41(51-44(48)38-45(3,4)5)40-50-43(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/q+1