5-[(2-tert-butyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one iodide

Systemtic Name: 5-[(2-tert-butyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one iodide Openeye Name: 5-[(2-tert-butyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one iodide CAS Name: 5-[(2-tert-butyl-3-methyl-1-imidazol-3-iumyl)methyl]-3,3-diphenyl-2-oxolanone iodide IUPAC Name: 5-[(2-tert-butyl-3-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one iodide Traditional Name: 5-[(2-tert-butyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one iodide Formula: C25H29IN2O2 MolecularWeight: 516.41443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[N+](C=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC(C)(C)C1=[N+](C=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C25H29N2O2.HI/c1-24(2,3)22-26(4)15-16-27(22)18-21-17-25(23(28)29-21,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-16,21H,17-18H2,1-4H3;1H/q+1;/p-1