1-methyl-7-oxidanylidene-3-(phenylmethyl)-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate

Systemtic Name: 1-methyl-7-oxidanylidene-3-(phenylmethyl)-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate Openeye Name: 3-benzyl-1-methyl-7-oxo-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate CAS Name: 1-methyl-7-oxo-3-(phenylmethyl)-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate IUPAC Name: 3-benzyl-1-methyl-7-oxo-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate Traditional Name: 3-benzyl-7-keto-1-methyl-6H-imidazo[4,5-d]pyridazin-1-ium-4-olate Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1C(=O)NN=C2[O-])CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1C(=O)NN=C2[O-])CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-16-8-17(7-9-5-3-2-4-6-9)11-10(16)12(18)14-15-13(11)19/h2-6,8H,7H2,1H3,(H-,14,15,18,19)