ethyl sulfate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: ethyl sulfate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium Openeye Name: ethyl sulfate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: ethyl sulfate; 2-hydroxyethyl-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: ethyl sulfate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: ethyl sulfate; 2-hydroxyethyl-dimethyl-(3-stearamidopropyl)ammonium Formula: C27H58N2O6S MolecularWeight: 538.82422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H52N2O2.C2H6O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;1-2-6-7(3,4)5/h28H,4-24H2,1-3H3;2H2,1H3,(H,3,4,5)