1,5-bis(oxidanyl)pentan-3-yl-(2-octadecanoyloxyethyl)azanium; methyl sulfate

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-(2-octadecanoyloxyethyl)azanium; methyl sulfate Openeye Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-(2-octadecanoyloxyethyl)ammonium; methyl sulfate CAS Name: 1,5-dihydroxypentan-3-yl-[2-(1-oxooctadecoxy)ethyl]ammonium; methyl sulfate IUPAC Name: 1,5-dihydroxypentan-3-yl(2-octadecanoyloxyethyl)azanium; methyl sulfate Traditional Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-(2-stearoyloxyethyl)ammonium; methyl sulfate Formula: C26H55NO8S MolecularWeight: 541.7818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]C(CCO)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H51NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h24,26-28H,2-23H2,1H3;1H3,(H,2,3,4)