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

Systemtic Name: 2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Openeye Name: 2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate CAS Name: 2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate IUPAC Name: 2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Traditional Name: 2-(3-methyl-2-pentadecyl-2-imidazolin-3-ium-1-yl)ethylamine; methyl sulfate Formula: C22H47N3O4S MolecularWeight: 449.69128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H44N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22;1-5-6(2,3)4/h3-20,22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1