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

Systemtic Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium sulfate Openeye Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)ammonium sulfate CAS Name: bis(2-hydroxyethyl)-methyl-[2-(1-oxooctadecoxy)ethyl]ammonium sulfate IUPAC Name: bis(2-hydroxyethyl)-methyl-(2-octadecanoyloxyethyl)azanium sulfate Traditional Name: bis(2-hydroxyethyl)-methyl-(2-stearoyloxyethyl)ammonium sulfate Formula: C50H104N2O12S MolecularWeight: 957.43196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H52NO4.H2O4S/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)30-24-21-26(2,19-22-27)20-23-28;1-5(2,3)4/h2*27-28H,3-24H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2