2-[(2S)-4,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-2H-imidazol-1-ium-2-yl]phenolate

Systemtic Name: 2-[(2S)-4,4-dimethyl-1-oxidanidyl-3-oxidanyl-5-phenyl-2H-imidazol-1-ium-2-yl]phenolate Openeye Name: 2-[(2S)-3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-yl]phenolate CAS Name: 2-[(2S)-3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-yl]phenolate IUPAC Name: 2-[(2S)-3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium-2-yl]phenolate Traditional Name: 2-[(2S)-3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-3-imidazolin-1-ium-2-yl]phenolate Formula: C17H17N2O3- MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C(N1O)C2=CC=CC=C2[O-])[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(=[N+]([C@H](N1O)C2=CC=CC=C2[O-])[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C17H18N2O3/c1-17(2)15(12-8-4-3-5-9-12)18(21)16(19(17)22)13-10-6-7-11-14(13)20/h3-11,16,20,22H,1-2H3/p-1/t16-/m1/s1