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

Systemtic Name: (4Z)-2-azanyl-4-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-4-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-5-(5-bromo-2-hydroxy-3-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(=CC(=C2O)OC)Br)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C/C2=CC(=CC(=C2O)OC)Br)N

InChI

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