2-[(1-acetamido-3-octadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-butan-2-yl-dimethyl-azanium

Systemtic Name: 2-[(1-acetamido-3-octadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-butan-2-yl-dimethyl-azanium Openeye Name: 2-[[1-(acetamidomethyl)-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-sec-butyl-ammonium CAS Name: 2-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-butan-2-yl-dimethylammonium IUPAC Name: 2-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-butan-2-yl-dimethylazanium Traditional Name: 2-[[1-(acetamidomethyl)-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-dimethyl-sec-butyl-ammonium Formula: C31H66N2O6P+ MolecularWeight: 593.839301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H65N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-37-28-31(27-32-30(4)34)39-40(35,36)38-26-24-33(5,6)29(3)8-2/h29,31H,7-28H2,1-6H3,(H-,32,34,35,36)/p+1