(2S)-5-(4-fluoranyl-3-methyl-phenyl)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-2H-imidazol-1-ium

Systemtic Name: (2S)-5-(4-fluoranyl-3-methyl-phenyl)-2,4,4-trimethyl-1-oxidanidyl-3-oxidanyl-2H-imidazol-1-ium Openeye Name: (2S)-5-(4-fluoro-3-methyl-phenyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-2H-imidazol-1-ium CAS Name: (2S)-5-(4-fluoro-3-methylphenyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-2H-imidazol-1-ium IUPAC Name: (2S)-5-(4-fluoro-3-methylphenyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-2H-imidazol-1-ium Traditional Name: (2S)-5-(4-fluoro-3-methyl-phenyl)-3-hydroxy-2,4,4-trimethyl-1-oxido-3-imidazolin-1-ium Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(C(=[N+]1[O-])C2=CC(=C(C=C2)F)C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2O2/c1-8-7-10(5-6-11(8)14)12-13(3,4)16(18)9(2)15(12)17/h5-7,9,18H,1-4H3/t9-/m1/s1