4-(2-acetyloxyhexadecan-3-yloxy)butan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate

Systemtic Name: 4-(2-acetyloxyhexadecan-3-yloxy)butan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: [3-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-propyl] (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: 4-(2-acetyloxyhexadecan-3-yloxy)butan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: 4-(2-acetyloxyhexadecan-3-yloxy)butan-2-yl (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: [3-[1-(1-acetoxyethyl)tetradecoxy]-1-methyl-propyl] (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:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-31(26(3)37-27(4)33)36-22-21-25(2)38-40(34,35)39-30-23-28-19-20-29(24-30)32(28,5)6/h25-26,28-31H,7-24H2,1-6H3