trimethyl-[8-[(3-octadecoxy-2-phenylmethoxy-propoxy)-oxidanyl-phosphoryl]oxyoctyl]azanium

Systemtic Name: trimethyl-[8-[(3-octadecoxy-2-phenylmethoxy-propoxy)-oxidanyl-phosphoryl]oxyoctyl]azanium Openeye Name: 8-[(2-benzyloxy-3-octadecoxy-propoxy)-hydroxy-phosphoryl]oxyoctyl-trimethyl-ammonium CAS Name: 8-[hydroxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]oxyoctyl-trimethylammonium IUPAC Name: 8-[hydroxy-(3-octadecoxy-2-phenylmethoxypropoxy)phosphoryl]oxyoctyl-trimethylazanium Traditional Name: 8-[(2-benzoxy-3-stearyloxy-propoxy)-hydroxy-phosphoryl]oxyoctyl-trimethyl-ammonium Formula: C39H75NO6P+ MolecularWeight: 684.989661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCCCCC[N+](C)(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C39H74NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-28-33-43-36-39(44-35-38-30-25-24-26-31-38)37-46-47(41,42)45-34-29-23-20-18-21-27-32-40(2,3)4/h24-26,30-31,39H,5-23,27-29,32-37H2,1-4H3/p+1