5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate

Systemtic Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: [4-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-butyl] (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: 5-(2-acetyloxyhexadecan-3-yloxy)pentan-2-yl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: [4-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-butyl] (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C31H60NO7P MolecularWeight: 589.784361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)OC(=O)C)OCCCC(C)OP(=O)([O-])OC1C[N+]2(CCC1CC2)C

Isomeric SMILES

CCCCCCCCCCCCCC(C(C)OC(=O)C)OCCCC(C)OP(=O)([O-])OC1C[N+]2(CCC1CC2)C

InChI

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