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

Systemtic Name: 2-(3-ethyl-2-heptadecan-8-yl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate Openeye Name: 2-[3-ethyl-2-(1-heptyldecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanamine; ethyl sulfate CAS Name: 2-(3-ethyl-2-heptadecan-8-yl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate IUPAC Name: 2-(3-ethyl-2-heptadecan-8-yl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate Traditional Name: 2-[3-ethyl-2-(1-heptyldecyl)-2-imidazolin-1-ium-1-yl]ethylamine; ethyl sulfate Formula: C26H55N3O4S MolecularWeight: 505.7976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)C1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)C1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C24H50N3.C2H6O4S/c1-4-7-9-11-12-14-16-18-23(17-15-13-10-8-5-2)24-26(6-3)21-22-27(24)20-19-25;1-2-6-7(3,4)5/h23H,4-22,25H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1