trimethyl-[2-[[1-octadecoxy-3-(octadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[1-octadecoxy-3-(octadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[1-(octadecoxymethyl)-2-(octadecylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-octadecoxy-3-(octadecylamino)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[1-octadecoxy-3-(octadecylamino)propan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[1-[(stearylamino)methyl]-2-stearyloxy-ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H94N2O5P+ MolecularWeight: 762.201321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C44H93N2O5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45-42-44(51-52(47,48)50-41-39-46(3,4)5)43-49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h44-45H,6-43H2,1-5H3/p+1