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

Systemtic Name: [3-(2-hydroxyethyl)-6-octoxy-1,5-bis(oxidanyl)hexan-3-yl]azanium; methyl sulfate Openeye Name: [3-hydroxy-1,1-bis(2-hydroxyethyl)-4-octoxy-butyl]ammonium; methyl sulfate CAS Name: [1,5-dihydroxy-3-(2-hydroxyethyl)-6-octoxyhexan-3-yl]ammonium; methyl sulfate IUPAC Name: [1,5-dihydroxy-3-(2-hydroxyethyl)-6-octoxyhexan-3-yl]azanium; methyl sulfate Traditional Name: [3-hydroxy-1,1-bis(2-hydroxyethyl)-4-octoxy-butyl]ammonium; methyl sulfate Formula: C17H39NO8S MolecularWeight: 417.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H35NO4.CH4O4S/c1-2-3-4-5-6-7-12-21-14-15(20)13-16(17,8-10-18)9-11-19;1-5-6(2,3)4/h15,18-20H,2-14,17H2,1H3;1H3,(H,2,3,4)