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

Systemtic Name: [(E)-2-acetamido-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-2-acetamido-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-2-acetamido-3-hydroxyoctadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-2-acetamido-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-2-acetamido-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C25H51N2O6P MolecularWeight: 506.656001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H51N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)24(26-23(2)28)22-33-34(30,31)32-21-20-27(3,4)5/h18-19,24-25,29H,6-17,20-22H2,1-5H3,(H-,26,28,30,31)/b19-18+