1-(3-cyclohexyl-2-methyl-5-oxidanylidene-4H-imidazol-3-ium-1-yl)octane-3,6-dione iodide

Systemtic Name: 1-(3-cyclohexyl-2-methyl-5-oxidanylidene-4H-imidazol-3-ium-1-yl)octane-3,6-dione iodide Openeye Name: 1-(3-cyclohexyl-2-methyl-5-oxo-4H-imidazol-3-ium-1-yl)octane-3,6-dione iodide CAS Name: 1-(3-cyclohexyl-2-methyl-5-oxo-4H-imidazol-3-ium-1-yl)octane-3,6-dione iodide IUPAC Name: 1-(3-cyclohexyl-2-methyl-5-oxo-4H-imidazol-3-ium-1-yl)octane-3,6-dione iodide Traditional Name: 1-(3-cyclohexyl-5-keto-2-methyl-2-imidazolin-3-ium-1-yl)octane-3,6-dione iodide Formula: C18H29IN2O3 MolecularWeight: 448.33893

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(=O)CCN1C(=[N+](CC1=O)C2CCCCC2)C.[I-]

Isomeric SMILES

CCC(=O)CCC(=O)CCN1C(=[N+](CC1=O)C2CCCCC2)C.[I-]

InChI

InChI=1S/C18H29N2O3.HI/c1-3-16(21)9-10-17(22)11-12-19-14(2)20(13-18(19)23)15-7-5-4-6-8-15;/h15H,3-13H2,1-2H3;1H/q+1;/p-1