tert-butyl 4-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-4-oxidanylidene-butanoate iodide

Systemtic Name: tert-butyl 4-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-4-oxidanylidene-butanoate iodide Openeye Name: tert-butyl 4-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-4-oxo-butanoate iodide CAS Name: 4-[methyl-(3-methyl-1-imidazol-3-iumyl)amino]-4-oxobutanoic acid tert-butyl ester iodide IUPAC Name: tert-butyl 4-[methyl-(3-methylimidazol-3-ium-1-yl)amino]-4-oxobutanoate iodide Traditional Name: 4-keto-4-[methyl-(3-methylimidazol-3-ium-1-yl)amino]butyric acid tert-butyl ester iodide Formula: C13H22IN3O3 MolecularWeight: 395.23655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N3O3.HI/c1-13(2,3)19-12(18)7-6-11(17)15(5)16-9-8-14(4)10-16;/h8-10H,6-7H2,1-5H3;1H/q+1;/p-1