4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-dimethyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-dimethyl-azanium Openeye Name: 4-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]butyl-dimethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-dimethylammonium IUPAC Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-dimethylazanium Traditional Name: 4-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]butyl-dimethyl-ammonium Formula: C27H57NO6P+ MolecularWeight: 522.718341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[NH+](C)C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[NH+](C)C)O)OC(=O)C

InChI

InChI=1S/C27H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-32-24-27(34-26(2)29)25-33-35(30,31)23-20-18-21-28(3)4/h27H,5-25H2,1-4H3,(H,30,31)/p+1