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

Systemtic Name: 2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Openeye Name: 2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate CAS Name: 2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate IUPAC Name: 2-(2-heptadecyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Traditional Name: 2-(2-heptadecyl-3-methyl-2-imidazolin-3-ium-1-yl)ethylamine; methyl sulfate Formula: C24H51N3O4S MolecularWeight: 477.74444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCN)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H48N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25(2)21-22-26(23)20-19-24;1-5-6(2,3)4/h3-22,24H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1