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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxypropyl) hydrogen phosphate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-octadecoxypropyl) hydrogen phosphate Traditional Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2-methoxy-3-stearyloxy-propyl) hydrogen phosphate Formula: C31H63NO6P+ MolecularWeight: 576.808781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62NO6P/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/p+1