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

Systemtic Name: 2-[(2-heptadecanoyloxy-3-octanoyloxy-propoxy)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-heptadecanoyloxy-3-octanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxoheptadecoxy)-3-(1-oxooctoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(2-heptadecanoyloxy-3-octanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-caprylyloxy-2-heptadecanoyloxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H67NO8P+ MolecularWeight: 636.860741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C33H66NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-22-24-26-33(36)42-31(29-39-32(35)25-23-21-11-9-7-2)30-41-43(37,38)40-28-27-34(3,4)5/h31H,6-30H2,1-5H3/p+1