1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-propanoyloxy-propyl) phosphate

Systemtic Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-propanoyloxy-propyl) phosphate Openeye Name: (3-hexadecoxy-2-propanoyloxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate CAS Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl [3-hexadecoxy-2-(1-oxopropoxy)propyl] phosphate IUPAC Name: 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-propanoyloxypropyl) phosphate Traditional Name: (3-cetyloxy-2-propionyloxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate Formula: C31H60NO7P MolecularWeight: 589.784361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO7P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36-25-29(38-31(33)5-2)26-37-40(34,35)39-27(3)30-24-32-21-19-28(30)20-22-32/h27-30H,4-26H2,1-3H3,(H,34,35)