[3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: [3-hexadecoxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: [3-hexadecoxy-2-[(5-phenyl-3-isoxazolyl)oxy]propyl] 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: [3-hexadecoxy-2-[(5-phenyl-1,2-oxazol-3-yl)oxy]propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: [3-cetyloxy-2-(5-phenylisoxazol-3-yl)oxy-propyl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C35H54N2O7P+ MolecularWeight: 645.786221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C35H53N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-27-40-30-33(43-35-29-34(44-36-35)32-22-17-15-18-23-32)31-42-45(38,39)41-28-26-37-24-19-16-20-25-37/h15-20,22-25,29,33H,2-14,21,26-28,30-31H2,1H3/p+1