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

Systemtic Name: 2-[(2-henicosanoyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-henicosanoyloxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3-hexadecoxy-2-(1-oxoheneicosoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-henicosanoyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-cetyloxy-2-heneicosanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C45H93NO7P+ MolecularWeight: 791.196181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/p+1