tert-butyl 2-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-2-oxidanylidene-ethanoate iodide

Systemtic Name: tert-butyl 2-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-2-oxidanylidene-ethanoate iodide Openeye Name: tert-butyl 2-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-2-oxo-acetate iodide CAS Name: 2-[methyl-(3-methyl-1-imidazol-3-iumyl)amino]-2-oxoacetic acid tert-butyl ester iodide IUPAC Name: tert-butyl 2-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-2-oxoacetate iodide Traditional Name: 2-keto-2-[methyl-(3-methylimidazol-3-ium-1-yl)amino]acetic acid tert-butyl ester iodide Formula: C11H18IN3O3 MolecularWeight: 367.18339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)N(C)N1C=C[N+](=C1)C.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)N(C)N1C=C[N+](=C1)C.[I-]

InChI

InChI=1S/C11H18N3O3.HI/c1-11(2,3)17-10(16)9(15)13(5)14-7-6-12(4)8-14;/h6-8H,1-5H3;1H/q+1;/p-1