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

Systemtic Name: (3S,4R)-3-ethyl-4-[[3-methyl-1-(3-methylbutyl)imidazol-1-ium-4-yl]methyl]oxolan-2-one iodide Openeye Name: (3S,4R)-3-ethyl-4-[(1-isopentyl-3-methyl-imidazol-1-ium-4-yl)methyl]tetrahydrofuran-2-one iodide CAS Name: (3S,4R)-3-ethyl-4-[[3-methyl-1-(3-methylbutyl)-4-imidazol-1-iumyl]methyl]-2-oxolanone iodide IUPAC Name: (3S,4R)-3-ethyl-4-[[3-methyl-1-(3-methylbutyl)imidazol-1-ium-4-yl]methyl]oxolan-2-one iodide Traditional Name: (3S,4R)-3-ethyl-4-[(1-isoamyl-3-methyl-imidazol-1-ium-4-yl)methyl]tetrahydrofuran-2-one iodide Formula: C16H27IN2O2 MolecularWeight: 406.30225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=C[N+](=CN2C)CCC(C)C.[I-]

InChI

InChI=1S/C16H27N2O2.HI/c1-5-15-13(10-20-16(15)19)8-14-9-18(11-17(14)4)7-6-12(2)3;/h9,11-13,15H,5-8,10H2,1-4H3;1H/q+1;/p-1/t13-,15-;/m0./s1