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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-propanoyloxy-propyl) phosphate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-propanoyloxy-propyl) phosphate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) [3-hexadecoxy-2-(1-oxopropoxy)propyl] phosphate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-propanoyloxypropyl) phosphate Traditional Name: (3-cetyloxy-2-propionyloxy-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-25-30(38-31(33)6-2)26-37-40(34,35)39-29-23-27-20-21-28(24-29)32(27,3)4/h27-30H,5-26H2,1-4H3