(2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (1-methyl-1-azoniabicyclo[2.2.1]heptan-3-yl) phosphate Formula: C28H54NO7P MolecularWeight: 547.704621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1C2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1C2)C)OC(=O)C

InChI

InChI=1S/C28H54NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-23-27(35-25(2)30)24-34-37(31,32)36-28-22-29(3)19-18-26(28)21-29/h26-28H,4-24H2,1-3H3