3-methyl-1-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-dione

Systemtic Name: 3-methyl-1-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-dione Openeye Name: 1-benzyl-3-methyl-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-dione CAS Name: 3-methyl-1-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-dione IUPAC Name: 1-benzyl-3-methyl-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-dione Traditional Name: 1-benzyl-3-methyl-5,6-dihydroimidazo[4,5-d]pyridazin-3-ium-4,7-quinone Formula: C13H13N4O2+ MolecularWeight: 257.26792

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1C(=O)NNC2=O)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1C(=O)NNC2=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)/p+1