[(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E,2S,3R)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E,2S,3R)-2-amino-3-hydroxy-octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C23H49N2O5P MolecularWeight: 464.619321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1