[3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-octadecoxy-2-thiazol-2-yloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-octadecoxy-2-(2-thiazolyloxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecoxy-2-(1,3-thiazol-2-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-stearyloxy-2-thiazol-2-yloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C29H57N2O6PS MolecularWeight: 592.811441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NC=CS1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NC=CS1

InChI

InChI=1S/C29H57N2O6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-26-28(37-29-30-21-25-39-29)27-36-38(32,33)35-24-22-31(2,3)4/h21,25,28H,5-20,22-24,26-27H2,1-4H3