(2-acetyloxy-3-octadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-3-octadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-octadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: (2-acetyloxy-3-octadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-octadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-stearyloxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Formula: C33H64NO7P MolecularWeight: 617.837521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

InChI

InChI=1S/C33H64NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-38-28(2)33(40-29(3)35)27-39-42(36,37)41-32-25-30-22-23-31(26-32)34(30,4)5/h28,30-33H,6-27H2,1-5H3