(3S,4R)-4-[(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl]-3-ethyl-oxolan-2-one iodide

Systemtic Name: (3S,4R)-4-[(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl]-3-ethyl-oxolan-2-one iodide Openeye Name: (3S,4R)-4-[(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl]-3-ethyl-tetrahydrofuran-2-one iodide CAS Name: (3S,4R)-4-[(1-butyl-3-methyl-4-imidazol-1-iumyl)methyl]-3-ethyl-2-oxolanone iodide IUPAC Name: (3S,4R)-4-[(1-butyl-3-methylimidazol-1-ium-4-yl)methyl]-3-ethyloxolan-2-one iodide Traditional Name: (3S,4R)-4-[(1-butyl-3-methyl-imidazol-1-ium-4-yl)methyl]-3-ethyl-tetrahydrofuran-2-one iodide Formula: C15H25IN2O2 MolecularWeight: 392.27567

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C(=C1)CC2COC(=O)C2CC)C.[I-]

Isomeric SMILES

CCCC[N+]1=CN(C(=C1)C[C@H]2COC(=O)[C@H]2CC)C.[I-]

InChI

InChI=1S/C15H25N2O2.HI/c1-4-6-7-17-9-13(16(3)11-17)8-12-10-19-15(18)14(12)5-2;/h9,11-12,14H,4-8,10H2,1-3H3;1H/q+1;/p-1/t12-,14-;/m0./s1