[(E)-2-(nonadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-2-(nonadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-3-hydroxy-2-(1-oxononadecylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H85N2O6P MolecularWeight: 745.107861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C42H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h33,35,40-41,45H,6-32,34,36-39H2,1-5H3,(H-,43,46,47,48)/b35-33+