bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium; methyl hydrogen sulfate

Systemtic Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium; methyl hydrogen sulfate Openeye Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)ammonium; methyl hydrogen sulfate CAS Name: bis(2-hydroxyethyl)-methyl-[2-(1-oxooctadecoxy)ethyl]ammonium; sulfuric acid methyl ester IUPAC Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium; methyl hydrogen sulfate Traditional Name: bis(2-hydroxyethyl)-methyl-(2-stearoyloxyethyl)ammonium; sulfuric acid methyl ester Formula: C26H56NO8S+ MolecularWeight: 542.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H52NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5-6(2,3)4/h27-28H,3-24H2,1-2H3;1H3,(H,2,3,4)/q+1;