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

Systemtic Name: (2-acetyloxy-3-octadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-octadecoxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: (2-acetyloxy-3-octadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-octadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-stearyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C31H60NO7P MolecularWeight: 589.784361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

InChI=1S/C31H60NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36-26-30(38-28(2)33)27-37-40(34,35)39-31-25-32(3)22-20-29(31)21-23-32/h29-31H,4-27H2,1-3H3