2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol; ethyl sulfate

Systemtic Name: 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol; ethyl sulfate Openeye Name: 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol; ethyl sulfate CAS Name: 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol; ethyl sulfate IUPAC Name: 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol; ethyl sulfate Traditional Name: 2-[1-ethyl-2-(15-methylhexadecyl)-2-imidazoline-1,3-diium-1-yl]ethanol; ethyl sulfate Formula: C26H55N2O5S+ MolecularWeight: 507.7903

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC[NH+]=C1CCCCCCCCCCCCCCC(C)C)CCO.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1(CC[NH+]=C1CCCCCCCCCCCCCCC(C)C)CCO.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H49N2O.C2H6O4S/c1-4-26(21-22-27)20-19-25-24(26)18-16-14-12-10-8-6-5-7-9-11-13-15-17-23(2)3;1-2-6-7(3,4)5/h23,27H,4-22H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;