4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyl-oxolan-2-one iodide

Systemtic Name: 4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyl-oxolan-2-one iodide Openeye Name: 4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyl-tetrahydrofuran-2-one iodide CAS Name: 4-[(1,3-dimethyl-4-imidazol-1-iumyl)methyl]-3-ethyl-2-oxolanone iodide IUPAC Name: 4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyloxolan-2-one iodide Traditional Name: 4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyl-tetrahydrofuran-2-one iodide Formula: C12H19IN2O2 MolecularWeight: 350.19593

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=C[N+](=CN2C)C.[I-]

Isomeric SMILES

CCC1C(COC1=O)CC2=C[N+](=CN2C)C.[I-]

InChI

InChI=1S/C12H19N2O2.HI/c1-4-11-9(7-16-12(11)15)5-10-6-13(2)8-14(10)3;/h6,8-9,11H,4-5,7H2,1-3H3;1H/q+1;/p-1