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

Systemtic Name: 4-[(1-acetamido-3-hexadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[1-(acetamidomethyl)-2-hexadecoxy-ethoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[(1-acetamido-3-hexadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[(1-acetamido-3-hexadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[[1-(acetamidomethyl)-2-cetyloxy-ethoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium Formula: C28H60N2O6P+ MolecularWeight: 551.759561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-34-26-28(25-29-27(2)31)36-37(32,33)35-24-21-19-22-30(3,4)5/h28H,6-26H2,1-5H3,(H-,29,31,32,33)/p+1