2-decyltetradecyl [3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]-2-oxidanyl-propyl] phosphate

Systemtic Name: 2-decyltetradecyl [3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]-2-oxidanyl-propyl] phosphate Openeye Name: 2-decyltetradecyl [3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]ammonio]-2-hydroxy-propyl] phosphate CAS Name: 2-decyltetradecyl [3-[dimethyl-[3-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]ammonio]-2-hydroxypropyl] phosphate IUPAC Name: 2-decyltetradecyl [3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl] phosphate Traditional Name: 2-decyltetradecyl [2-hydroxy-3-[3-methacrylamidopropyl(dimethyl)ammonio]propyl] phosphate Formula: C36H73N2O6P MolecularWeight: 660.948381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCC)COP(=O)([O-])OCC(C[N+](C)(C)CCCNC(=O)C(=C)C)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCC)COP(=O)([O-])OCC(C[N+](C)(C)CCCNC(=O)C(=C)C)O

InChI

InChI=1S/C36H73N2O6P/c1-7-9-11-13-15-17-18-20-22-24-27-34(26-23-21-19-16-14-12-10-8-2)31-43-45(41,42)44-32-35(39)30-38(5,6)29-25-28-37-36(40)33(3)4/h34-35,39H,3,7-32H2,1-2,4-6H3,(H-,37,40,41,42)