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

Systemtic Name: 2-[3-methyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-3-ium-1-yl]ethanamine; methyl sulfate Openeye Name: 2-[2-(1,1-dimethylheptyl)-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethanamine; methyl sulfate CAS Name: 2-[3-methyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-3-ium-1-yl]ethanamine; methyl sulfate IUPAC Name: 2-[3-methyl-2-(2-methyloctan-2-yl)-4,5-dihydroimidazol-3-ium-1-yl]ethanamine; methyl sulfate Traditional Name: 2-[2-(1,1-dimethylheptyl)-3-methyl-2-imidazolin-3-ium-1-yl]ethylamine; methyl sulfate Formula: C16H35N3O4S MolecularWeight: 365.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(C)(C)C1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H32N3.CH4O4S/c1-5-6-7-8-9-15(2,3)14-17(4)12-13-18(14)11-10-16;1-5-6(2,3)4/h5-13,16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1