[(2S)-3-oxidanyl-2-tridecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-3-oxidanyl-2-tridecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hydroxy-2-tridecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-hydroxy-2-(1-oxotridecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hydroxy-2-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-3-hydroxy-2-tridecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C21H44NO7P MolecularWeight: 453.550321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22(2,3)4/h20,23H,5-19H2,1-4H3/t20-/m0/s1