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

Systemtic Name: 2-(2-henicosyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Openeye Name: 2-(2-henicosyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate CAS Name: 2-(2-heneicosyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate IUPAC Name: 2-(2-henicosyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Traditional Name: 2-(2-heneicosyl-3-methyl-2-imidazolin-3-ium-1-yl)ethylamine; methyl sulfate Formula: C28H59N3O4S MolecularWeight: 533.85076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H56N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-29(2)25-26-30(27)24-23-28;1-5-6(2,3)4/h3-26,28H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1