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

Systemtic Name: 2-[(2-henicosanoyloxy-3-oxidanyl-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-henicosanoyloxy-3-hydroxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-hydroxy-2-(1-oxoheneicosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-henicosanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-heneicosanoyloxy-3-hydroxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H61NO7P+ MolecularWeight: 566.770901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C29H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)37-28(26-31)27-36-38(33,34)35-25-24-30(2,3)4/h28,31H,5-27H2,1-4H3/p+1