(3-hexadecoxy-2-propanoyloxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate

Systemtic Name: (3-hexadecoxy-2-propanoyloxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: (3-hexadecoxy-2-propanoyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: [3-hexadecoxy-2-(1-oxopropoxy)propyl] (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: (3-hexadecoxy-2-propanoyloxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: (3-cetyloxy-2-propionyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C30H58NO7P MolecularWeight: 575.757781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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