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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)methyl phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)methyl phosphate CAS Name: (2-acetyloxy-3-hexadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)methyl phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxybutyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)methyl phosphate Traditional Name: (2-acetoxy-3-cetyloxy-butyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)methyl phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OCC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C(COP(=O)([O-])OCC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

InChI

InChI=1S/C32H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-27(2)32(40-28(3)34)26-39-41(35,36)38-25-29-23-30-20-21-31(24-29)33(30,4)5/h27,29-32H,6-26H2,1-5H3