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

Systemtic Name: [1-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-oxidanyl-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: [2-hydroxy-1-[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethoxy]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [1-[1,3-bis(1-oxooctadecoxy)propan-2-yloxy]-2-hydroxy-2-oxoethyl]-trimethylammonium IUPAC Name: [1-[1,3-di(octadecanoyloxy)propan-2-yloxy]-2-hydroxy-2-oxoethyl]-trimethylazanium Traditional Name: [2-hydroxy-2-keto-1-[2-stearoyloxy-1-(stearoyloxymethyl)ethoxy]ethyl]-trimethyl-ammonium Formula: C44H86NO7+ MolecularWeight: 741.15614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H85NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)50-38-40(52-43(44(48)49)45(3,4)5)39-51-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40,43H,6-39H2,1-5H3/p+1