2-[[2-(hexadecoxymethyl)-4-oxidanyl-icosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(hexadecoxymethyl)-4-oxidanyl-icosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(hexadecoxymethyl)-4-hydroxy-icosoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(hexadecoxymethyl)-4-hydroxyeicosoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(hexadecoxymethyl)-4-hydroxyicosoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(cetyloxymethyl)-4-hydroxy-eicosoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C42H89NO5P+ MolecularWeight: 719.133521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C42H89NO5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(44)38-41(40-48-49(45)47-37-35-43(3,4)5)39-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41-42,44-45H,6-40H2,1-5H3/q+1