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

Systemtic Name: (4Z)-2-azanyl-4-[(3-methoxy-2-oxidanyl-phenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-4-[(2-hydroxy-3-methoxy-phenyl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-5-(2-hydroxy-3-methoxy-benzylidene)-1-methyl-2-imidazolin-1-ium-4-one Formula: C12H14N3O3+ MolecularWeight: 248.25786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-15-8(11(17)14-12(15)13)6-7-4-3-5-9(18-2)10(7)16/h3-6H,1-2H3,(H3,13,14,16,17)/p+1