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

Systemtic Name: (2-acetyloxy-3-octadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate Openeye Name: (2-acetoxy-3-octadecoxy-propyl) (1-methylquinuclidin-1-ium-3-yl)methyl phosphate CAS Name: (2-acetyloxy-3-octadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate IUPAC Name: (2-acetyloxy-3-octadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate Traditional Name: (2-acetoxy-3-stearyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl)methyl phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

InChI=1S/C32H62NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-27-32(40-29(2)34)28-39-41(35,36)38-26-31-25-33(3)22-20-30(31)21-23-33/h30-32H,4-28H2,1-3H3