5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate

Systemtic Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: [4-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-butyl] (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: [4-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-butyl] (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)OC(=O)C)OCCCC(C)OP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(C(C)OC(=O)C)OCCCC(C)OP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C

InChI

InChI=1S/C32H62NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-20-32(27(3)38-28(4)34)37-23-18-19-26(2)39-41(35,36)40-31-24-29-21-22-30(25-31)33(29,5)6/h26-27,29-32H,7-25H2,1-6H3