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

Systemtic Name: trimethyl-[2-[oxidanyl-(3-pentacosanoyloxy-2-pentadecanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(3-pentacosanoyloxy-2-pentadecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxopentacosoxy)-2-(1-oxopentadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-pentacosanoyloxy-2-pentadecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(3-pentacosanoyloxy-2-pentadecanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C48H97NO8P+ MolecularWeight: 847.259441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-30-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/p+1