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

Systemtic Name: 2-[(2-decanoyloxy-3-tridecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-decanoyloxy-3-tridecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxodecoxy)-3-(1-oxotridecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-decanoyloxy-3-tridecanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-capryloxy-3-tridecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H63NO8P+ MolecularWeight: 608.807581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC

InChI

InChI=1S/C31H62NO8P/c1-6-8-10-12-14-15-16-18-19-21-23-30(33)37-27-29(28-39-41(35,36)38-26-25-32(3,4)5)40-31(34)24-22-20-17-13-11-9-7-2/h29H,6-28H2,1-5H3/p+1