trimethyl-[2-[4-[methylcarbamoyl(octadecyl)amino]butoxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[4-[methylcarbamoyl(octadecyl)amino]butoxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[4-[methylcarbamoyl(octadecyl)amino]butoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[4-[methylcarbamoyl(octadecyl)amino]butoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[4-[methylcarbamoyl(octadecyl)amino]butoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[4-[methylcarbamoyl(stearyl)amino]butoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H63N3O5P+ MolecularWeight: 564.801381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)(O)OCC[N+](C)(C)C)C(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCOP(=O)(O)OCC[N+](C)(C)C)C(=O)NC

InChI

InChI=1S/C29H62N3O5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31(29(33)30-2)25-22-23-27-36-38(34,35)37-28-26-32(3,4)5/h6-28H2,1-5H3,(H-,30,33,34,35)/p+1