1-[14-(4,5-dihydro-1H-imidazol-3-ium-3-yl)hexadecoxy]ethanol; methyl sulfate

Systemtic Name: 1-[14-(4,5-dihydro-1H-imidazol-3-ium-3-yl)hexadecoxy]ethanol; methyl sulfate Openeye Name: 1-[14-(4,5-dihydro-1H-imidazol-3-ium-3-yl)hexadecoxy]ethanol; methyl sulfate CAS Name: 1-[14-(4,5-dihydro-1H-imidazol-3-ium-3-yl)hexadecoxy]ethanol; methyl sulfate IUPAC Name: 1-[14-(4,5-dihydro-1H-imidazol-3-ium-3-yl)hexadecoxy]ethanol; methyl sulfate Traditional Name: 1-[14-(2-imidazolin-1-ium-1-yl)hexadecoxy]ethanol; methyl sulfate Formula: C22H46N2O6S MolecularWeight: 466.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCCCCCCOC(C)O)[N+]1=CNCC1.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CCCCCCCCCCCCCOC(C)O)[N+]1=CNCC1.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H42N2O2.CH4O4S/c1-3-21(23-17-16-22-19-23)15-13-11-9-7-5-4-6-8-10-12-14-18-25-20(2)24;1-5-6(2,3)4/h19-21,24H,3-18H2,1-2H3;1H3,(H,2,3,4)