trimethyl-[4-[(3-octadecoxy-2-oxidanyl-propoxy)-oxidanyl-phosphanyl]oxybutyl]azanium

Systemtic Name: trimethyl-[4-[(3-octadecoxy-2-oxidanyl-propoxy)-oxidanyl-phosphanyl]oxybutyl]azanium Openeye Name: 4-[hydroxy-(2-hydroxy-3-octadecoxy-propoxy)phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[hydroxy-(2-hydroxy-3-octadecoxypropoxy)phosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[hydroxy-(2-hydroxy-3-octadecoxypropoxy)phosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[hydroxy-(2-hydroxy-3-stearyloxy-propoxy)phosphino]oxybutyl-trimethyl-ammonium Formula: C28H61NO5P+ MolecularWeight: 522.761401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(O)OCCCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(O)OCCCC[N+](C)(C)C)O

InChI

InChI=1S/C28H61NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-32-26-28(30)27-34-35(31)33-25-22-20-23-29(2,3)4/h28,30-31H,5-27H2,1-4H3/q+1