(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxy-propyl) phosphate hydrate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxy-propyl) phosphate hydrate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxy-propyl) phosphate hydrate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxypropyl) phosphate hydrate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxypropyl) phosphate hydrate Traditional Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-stearyloxy-propyl) phosphate hydrate Formula: C31H64NO7P MolecularWeight: 593.816121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO6P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-26-31(35-4)27-37-39(33,34)38-30-24-28-21-22-29(25-30)32(28,2)3;/h28-31H,5-27H2,1-4H3;1H2