[6-decoxy-3-(2-hydroxyethyl)-1,5-bis(oxidanyl)hexan-3-yl]azanium; methyl sulfate

Systemtic Name: [6-decoxy-3-(2-hydroxyethyl)-1,5-bis(oxidanyl)hexan-3-yl]azanium; methyl sulfate Openeye Name: [4-decoxy-3-hydroxy-1,1-bis(2-hydroxyethyl)butyl]ammonium; methyl sulfate CAS Name: [6-decoxy-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-yl]ammonium; methyl sulfate IUPAC Name: [6-decoxy-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-yl]azanium; methyl sulfate Traditional Name: [4-decoxy-3-hydroxy-1,1-bis(2-hydroxyethyl)butyl]ammonium; methyl sulfate Formula: C19H43NO8S MolecularWeight: 445.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(CC(CCO)(CCO)[NH3+])O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOCC(CC(CCO)(CCO)[NH3+])O.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H39NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-14-23-16-17(22)15-18(19,10-12-20)11-13-21;1-5-6(2,3)4/h17,20-22H,2-16,19H2,1H3;1H3,(H,2,3,4)