1,5-bis(oxidanyl)pentan-3-ylazanium; methyl sulfate

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-ylazanium; methyl sulfate Openeye Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium; methyl sulfate CAS Name: 1,5-dihydroxypentan-3-ylammonium; methyl sulfate IUPAC Name: 1,5-dihydroxypentan-3-ylazanium; methyl sulfate Traditional Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]ammonium; methyl sulfate Formula: C6H17NO6S MolecularWeight: 231.26728

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C(CO)C(CCO)[NH3+]

Isomeric SMILES

COS(=O)(=O)[O-].C(CO)C(CCO)[NH3+]

InChI

InChI=1S/C5H13NO2.CH4O4S/c6-5(1-3-7)2-4-8;1-5-6(2,3)4/h5,7-8H,1-4,6H2;1H3,(H,2,3,4)