1-[3-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol; ethyl sulfate

Systemtic Name: 1-[3-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol; ethyl sulfate Openeye Name: 1-[3-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol; ethyl sulfate CAS Name: 1-[3-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol; ethyl sulfate IUPAC Name: 1-[3-ethyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol; ethyl sulfate Traditional Name: 1-[3-ethyl-2-(16-methylheptadecyl)-2-imidazolin-3-ium-1-yl]ethanol; ethyl sulfate Formula: C27H56N2O5S MolecularWeight: 520.80894

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(CC1)C(C)O)CCCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(N(CC1)C(C)O)CCCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H51N2O.C2H6O4S/c1-5-26-21-22-27(24(4)28)25(26)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-23(2)3;1-2-6-7(3,4)5/h23-24,28H,5-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1