2-[3-ethyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate

Systemtic Name: 2-[3-ethyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate Openeye Name: 2-[2-(1,1-dimethylheptyl)-3-ethyl-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate CAS Name: 2-[3-ethyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate IUPAC Name: 2-[3-ethyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate Traditional Name: 2-[2-(1,1-dimethylheptyl)-3-ethyl-2-imidazolin-1-ium-1-yl]ethylamine; ethyl sulfate Formula: C18H39N3O4S MolecularWeight: 393.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(C)(C)C1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H34N3.C2H6O4S/c1-5-7-8-9-10-16(3,4)15-18(6-2)13-14-19(15)12-11-17;1-2-6-7(3,4)5/h5-14,17H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1