4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium Formula: C28H59NO7P+ MolecularWeight: 552.744321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C28H58NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-21-19-22-29(3,4)5/h28H,6-26H2,1-5H3/p+1