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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-3-yl)ethyl phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) 1-quinuclidin-1-ium-3-ylethyl phosphate Formula: C30H58NO7P MolecularWeight: 575.757781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-24-29(37-27(3)32)25-36-39(33,34)38-26(2)30-23-31-20-18-28(30)19-21-31/h26,28-30H,4-25H2,1-3H3,(H,33,34)