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

Systemtic Name: (2-acetyloxy-3-octadecoxy-propyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate Openeye Name: (2-acetoxy-3-octadecoxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate CAS Name: (2-acetyloxy-3-octadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate IUPAC Name: (2-acetyloxy-3-octadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate Traditional Name: (2-acetoxy-3-stearyloxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-26-31(39-29(3)34)27-38-41(35,36)40-28(2)32-25-33-22-20-30(32)21-23-33/h28,30-32H,4-27H2,1-3H3,(H,35,36)