(2-acetyloxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-yl) phosphate Formula: C31H60NO7P MolecularWeight: 589.784361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CC(C1)C[N+](C2)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CC(C1)C[N+](C2)(C)C)OC(=O)C

InChI

InChI=1S/C31H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-25-31(38-27(2)33)26-37-40(34,35)39-30-21-28-20-29(22-30)24-32(3,4)23-28/h28-31H,5-26H2,1-4H3