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

Systemtic Name: [6-dodecoxy-3-(2-hydroxyethyl)-1,5-bis(oxidanyl)hexan-3-yl]azanium; methyl sulfate Openeye Name: [4-dodecoxy-3-hydroxy-1,1-bis(2-hydroxyethyl)butyl]ammonium; methyl sulfate CAS Name: [6-dodecoxy-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-yl]ammonium; methyl sulfate IUPAC Name: [6-dodecoxy-1,5-dihydroxy-3-(2-hydroxyethyl)hexan-3-yl]azanium; methyl sulfate Traditional Name: [3-hydroxy-1,1-bis(2-hydroxyethyl)-4-lauryloxy-butyl]ammonium; methyl sulfate Formula: C21H47NO8S MolecularWeight: 473.66478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-16-25-18-19(24)17-20(21,12-14-22)13-15-23;1-5-6(2,3)4/h19,22-24H,2-18,21H2,1H3;1H3,(H,2,3,4)