(2-acetyloxy-3-hexadecoxy-propyl) 1-(1-azoniabicyclo[2.2.2]octan-4-yl)ethyl phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) 1-(1-azoniabicyclo[2.2.2]octan-4-yl)ethyl phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) 1-quinuclidin-1-ium-4-ylethyl phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-4-yl)ethyl phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.2]octan-4-yl)ethyl phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) 1-quinuclidin-1-ium-4-ylethyl phosphate Formula: C30H58NO7P MolecularWeight: 575.757781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)C12CC[NH+](CC1)CC2)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)C12CC[NH+](CC1)CC2)OC(=O)C

InChI

InChI=1S/C30H58NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35-25-29(37-28(3)32)26-36-39(33,34)38-27(2)30-18-21-31(22-19-30)23-20-30/h27,29H,4-26H2,1-3H3,(H,33,34)