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

Systemtic Name: (2-acetyloxy-3-heptadecoxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-heptadecoxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: (2-acetyloxy-3-heptadecoxypropyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-heptadecoxypropyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-heptadecoxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Formula: C31H60NO7P MolecularWeight: 589.784361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-25-31(38-27(2)33)26-37-40(34,35)39-30-23-28-20-21-29(24-30)32(28,3)4/h28-31H,5-26H2,1-4H3