2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl (2-ethoxy-3-hexadecoxy-propyl) phosphate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]ethyl (2-ethoxy-3-hexadecoxypropyl) phosphate IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl (2-ethoxy-3-hexadecoxypropyl) phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl phosphate Formula: C30H57N2O6P MolecularWeight: 572.757141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=C(C=C1)N(C)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=C(C=C1)N(C)C)OCC

InChI

InChI=1S/C30H57N2O6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35-27-30(36-6-2)28-38-39(33,34)37-26-24-32-22-20-29(21-23-32)31(3)4/h20-23,30H,5-19,24-28H2,1-4H3