3-(docosanoylamino)propyl-ethyl-dimethyl-azanium; ethyl sulfate

Systemtic Name: 3-(docosanoylamino)propyl-ethyl-dimethyl-azanium; ethyl sulfate Openeye Name: 3-(docosanoylamino)propyl-ethyl-dimethyl-ammonium; ethyl sulfate CAS Name: ethyl-dimethyl-[3-(1-oxodocosylamino)propyl]ammonium; ethyl sulfate IUPAC Name: 3-(docosanoylamino)propyl-ethyl-dimethylazanium; ethyl sulfate Traditional Name: 3-(docosanoylamino)propyl-ethyl-dimethyl-ammonium; ethyl sulfate Formula: C31H66N2O5S MolecularWeight: 578.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C29H60N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(3,4)6-2;1-2-6-7(3,4)5/h5-28H2,1-4H3;2H2,1H3,(H,3,4,5)