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

Systemtic Name: 4-bromanyl-2-(5-ethyl-4,4-dimethyl-3-oxidanyl-2H-imidazol-1-ium-2-yl)phenol Openeye Name: 4-bromo-2-(5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl)phenol CAS Name: 4-bromo-2-(5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl)phenol IUPAC Name: 4-bromo-2-(5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium-2-yl)phenol Traditional Name: 4-bromo-2-(4-ethyl-1-hydroxy-5,5-dimethyl-3-imidazolin-3-ium-2-yl)phenol Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2/c1-4-11-13(2,3)16(18)12(15-11)9-7-8(14)5-6-10(9)17/h5-7,12,17-18H,4H2,1-3H3/p+1