2-[(3-decanoyloxy-2-hexacosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-decanoyloxy-2-hexacosanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(3-decanoyloxy-2-hexacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxodecoxy)-2-(1-oxohexacosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-decanoyloxy-2-hexacosanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-capryloxy-2-hexacosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H89NO8P+ MolecularWeight: 791.153121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1