1-[5-(furan-2-yl)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl]ethanone

Systemtic Name: 1-[5-(furan-2-yl)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-imidazol-1-ium-2-yl]ethanone Openeye Name: 1-[5-(2-furyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-imidazol-1-ium-2-yl]ethanone CAS Name: 1-[5-(2-furanyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-2-imidazol-1-iumyl]ethanone IUPAC Name: 1-[5-(furan-2-yl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium-2-yl]ethanone Traditional Name: 1-[5-(2-furyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-3-imidazolin-1-ium-2-yl]ethanone Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=CO2)(C)C)O)C

Isomeric SMILES

CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=CO2)(C)C)O)C

InChI

InChI=1S/C12H16N2O4/c1-8(15)12(4)13(16)10(9-6-5-7-18-9)11(2,3)14(12)17/h5-7,17H,1-4H3