4-[(2S)-5-ethyl-4,4-dimethyl-3-oxidanyl-2H-imidazol-1-ium-2-yl]phenol

Systemtic Name: 4-[(2S)-5-ethyl-4,4-dimethyl-3-oxidanyl-2H-imidazol-1-ium-2-yl]phenol Openeye Name: 4-[(2S)-5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl]phenol CAS Name: 4-[(2S)-5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl]phenol IUPAC Name: 4-[(2S)-5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl]phenol Traditional Name: 4-[(2S)-4-ethyl-1-hydroxy-5,5-dimethyl-3-imidazolin-3-ium-2-yl]phenol Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(N(C1(C)C)O)C2=CC=C(C=C2)O

Isomeric SMILES

CCC1=[NH+][C@@H](N(C1(C)C)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H18N2O2/c1-4-11-13(2,3)15(17)12(14-11)9-5-7-10(16)8-6-9/h5-8,12,16-17H,4H2,1-3H3/p+1/t12-/m0/s1