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

Systemtic Name: (4Z)-2-azanyl-4-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-4-[(5-bromo-2-methoxy-phenyl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-4-[(5-bromo-2-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-5-(5-bromo-2-methoxy-benzylidene)-1-methyl-2-imidazolin-1-ium-4-one Formula: C12H13BrN3O2+ MolecularWeight: 311.15452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2/c1-16-9(11(17)15-12(16)14)6-7-5-8(13)3-4-10(7)18-2/h3-6H,1-2H3,(H2,14,15,17)/p+1/b9-6-