(2-acetyloxy-3-octadecoxy-propyl) [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenyl-ethyl] phosphate

Systemtic Name: (2-acetyloxy-3-octadecoxy-propyl) [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenyl-ethyl] phosphate Openeye Name: (2-acetoxy-3-octadecoxy-propyl) (1-phenyl-1-quinuclidin-1-ium-3-yl-ethyl) phosphate CAS Name: (2-acetyloxy-3-octadecoxypropyl) [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenylethyl] phosphate IUPAC Name: (2-acetyloxy-3-octadecoxypropyl) [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenylethyl] phosphate Traditional Name: (2-acetoxy-3-stearyloxy-propyl) (1-phenyl-1-quinuclidin-1-ium-3-yl-ethyl) phosphate Formula: C38H66NO7P MolecularWeight: 679.906901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1CC2)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1CC2)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C38H66NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-43-31-36(45-33(2)40)32-44-47(41,42)46-38(3,35-23-20-19-21-24-35)37-30-39-27-25-34(37)26-28-39/h19-21,23-24,34,36-37H,4-18,22,25-32H2,1-3H3,(H,41,42)