2-azanyl-4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one

Systemtic Name: 2-azanyl-4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: 2-amino-4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: 2-amino-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: 2-amino-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: 2-amino-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-1-methyl-2-imidazolin-1-ium-4-one Formula: C12H13BrN3O3+ MolecularWeight: 327.15392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC(=C(C(=C2)Br)O)OC)N

Isomeric SMILES

C[N+]1=C(NC(=O)C1=CC2=CC(=C(C(=C2)Br)O)OC)N

InChI

InChI=1S/C12H12BrN3O3/c1-16-8(11(18)15-12(16)14)4-6-3-7(13)10(17)9(5-6)19-2/h3-5H,1-2H3,(H3,14,15,17,18)/p+1