2-(4-carboxy-2-ethyl-1-hexyl-imidazol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(4-carboxy-2-ethyl-1-hexyl-imidazol-1-ium-1-yl)ethanoate Openeye Name: 2-(4-carboxy-2-ethyl-1-hexyl-imidazol-1-ium-1-yl)acetate CAS Name: 2-(4-carboxy-2-ethyl-1-hexyl-1-imidazol-1-iumyl)acetate IUPAC Name: 2-(4-carboxy-2-ethyl-1-hexylimidazol-1-ium-1-yl)acetate Traditional Name: 2-(4-carboxy-2-ethyl-1-hexyl-imidazol-1-ium-1-yl)acetate Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=C(N=C1CC)C(=O)O)CC(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1(C=C(N=C1CC)C(=O)O)CC(=O)[O-]

InChI

InChI=1S/C14H22N2O4/c1-3-5-6-7-8-16(10-13(17)18)9-11(14(19)20)15-12(16)4-2/h9H,3-8,10H2,1-2H3,(H-,17,18,19,20)