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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-butyl) (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:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-26(2)31(38-27(3)33)25-37-40(34,35)39-30-23-28-20-21-29(24-30)32(28,4)5/h26,28-31H,6-25H2,1-5H3