(2-acetyloxy-3-octadecoxy-butyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-3-octadecoxy-butyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-octadecoxy-butyl) (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: (2-acetyloxy-3-octadecoxybutyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-octadecoxybutyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-stearyloxy-butyl) (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

InChI=1S/C32H62NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37-28(2)32(39-29(3)34)27-38-41(35,36)40-31-26-33(4)23-21-30(31)22-24-33/h28,30-32H,5-27H2,1-4H3