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

Systemtic Name: 1-[(2S)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-5-thiophen-2-yl-imidazol-1-ium-2-yl]ethanone Openeye Name: 1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-(2-thienyl)imidazol-1-ium-2-yl]ethanone CAS Name: 1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl]ethanone IUPAC Name: 1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-ylimidazol-1-ium-2-yl]ethanone Traditional Name: 1-[(2S)-3-hydroxy-2,4,4-trimethyl-1-oxido-5-(2-thienyl)-3-imidazolin-1-ium-2-yl]ethanone Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(N(C(C(=[N+]1[O-])C2=CC=CS2)(C)C)O)C

Isomeric SMILES

CC(=O)[C@]1(N(C(C(=[N+]1[O-])C2=CC=CS2)(C)C)O)C

InChI

InChI=1S/C12H16N2O3S/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/t12-/m1/s1