2-(2-heptadecan-8-yl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate

Systemtic Name: 2-(2-heptadecan-8-yl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Openeye Name: 2-[2-(1-heptyldecyl)-3-methyl-4,5-dihydroimidazol-3-ium-1-yl]ethanamine; methyl sulfate CAS Name: 2-(2-heptadecan-8-yl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate IUPAC Name: 2-(2-heptadecan-8-yl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine; methyl sulfate Traditional Name: 2-[2-(1-heptyldecyl)-3-methyl-2-imidazolin-3-ium-1-yl]ethylamine; methyl sulfate Formula: C24H51N3O4S MolecularWeight: 477.74444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H48N3.CH4O4S/c1-4-6-8-10-11-13-15-17-22(16-14-12-9-7-5-2)23-25(3)20-21-26(23)19-18-24;1-5-6(2,3)4/h22H,4-21,24H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1