2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-dimethyl-[2-(1-oxooctadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-dimethyl-(2-octadecanoyloxyethyl)azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-dimethyl-(2-stearoyloxyethyl)ammonium; methyl sulfate Formula: C25H53NO7S MolecularWeight: 511.75582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H50NO3.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)28-23-21-25(2,3)20-22-26;1-5-6(2,3)4/h26H,4-23H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1