[3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecoxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hexadecoxy-2-[(5-phenyl-3-isoxazolyl)oxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-cetyloxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H57N2O7P MolecularWeight: 624.788641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NOC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC1=NOC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C33H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-38-28-31(29-40-43(36,37)39-26-24-35(2,3)4)41-33-27-32(42-34-33)30-22-19-18-20-23-30/h18-20,22-23,27,31H,5-17,21,24-26,28-29H2,1-4H3