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

Systemtic Name: 3-[(1-acetamido-3-octadecoxy-propan-2-yl)oxy-oxidanyl-phosphoryl]oxypropyl-trimethyl-azanium Openeye Name: 3-[[1-(acetamidomethyl)-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxypropyl-trimethyl-ammonium CAS Name: 3-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxypropyl-trimethylammonium IUPAC Name: 3-[(1-acetamido-3-octadecoxypropan-2-yl)oxy-hydroxyphosphoryl]oxypropyl-trimethylazanium Traditional Name: 3-[[1-(acetamidomethyl)-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxypropyl-trimethyl-ammonium Formula: C29H62N2O6P+ MolecularWeight: 565.786141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H61N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-27-29(26-30-28(2)32)37-38(33,34)36-25-22-23-31(3,4)5/h29H,6-27H2,1-5H3,(H-,30,32,33,34)/p+1