[3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-hexadecoxy-2-isoxazol-3-yloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hexadecoxy-2-(3-isoxazolyloxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecoxy-2-(1,2-oxazol-3-yloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-cetyloxy-2-isoxazol-3-yloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C27H53N2O7P MolecularWeight: 548.692681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NOC=C1

InChI

InChI=1S/C27H53N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-24-26(36-27-19-22-33-28-27)25-35-37(30,31)34-23-20-29(2,3)4/h19,22,26H,5-18,20-21,23-25H2,1-4H3