trimethyl-[2-[(2-octadecanoyloxy-3-tridecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[(2-octadecanoyloxy-3-tridecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-octadecanoyloxy-3-tridecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxooctadecoxy)-3-(1-oxotridecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-octadecanoyloxy-3-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-stearoyloxy-3-tridecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C39H79NO8P+ MolecularWeight: 721.020221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/p+1