4-[(1-acetamido-3-octadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[(1-acetamido-3-octadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[1-(acetamidomethyl)-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[[1-(acetamidomethyl)-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium Formula: C30H64N2O6P+ MolecularWeight: 579.812721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)(O)OCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)(O)OCCCC[N+](C)(C)C

InChI

InChI=1S/C30H63N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-36-28-30(27-31-29(2)33)38-39(34,35)37-26-23-21-24-32(3,4)5/h30H,6-28H2,1-5H3,(H-,31,33,34,35)/p+1