bis(2-hydroxyethyl)-(4-octoxy-3-oxidanyl-butyl)azanium; methyl sulfate

Systemtic Name: bis(2-hydroxyethyl)-(4-octoxy-3-oxidanyl-butyl)azanium; methyl sulfate Openeye Name: bis(2-hydroxyethyl)-(3-hydroxy-4-octoxy-butyl)ammonium; methyl sulfate CAS Name: bis(2-hydroxyethyl)-(3-hydroxy-4-octoxybutyl)ammonium; methyl sulfate IUPAC Name: bis(2-hydroxyethyl)-(3-hydroxy-4-octoxybutyl)azanium; methyl sulfate Traditional Name: bis(2-hydroxyethyl)-(3-hydroxy-4-octoxy-butyl)ammonium; methyl sulfate Formula: C17H39NO8S MolecularWeight: 417.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(CC[NH+](CCO)CCO)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOCC(CC[NH+](CCO)CCO)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H35NO4.CH4O4S/c1-2-3-4-5-6-7-14-21-15-16(20)8-9-17(10-12-18)11-13-19;1-5-6(2,3)4/h16,18-20H,2-15H2,1H3;1H3,(H,2,3,4)