7-ethyl-6-methyl-1-(phenylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one

Systemtic Name: 7-ethyl-6-methyl-1-(phenylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one Openeye Name: 1-benzyl-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one CAS Name: 7-ethyl-6-methyl-1-(phenylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one IUPAC Name: 1-benzyl-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one Traditional Name: 1-benzyl-7-ethyl-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one Formula: C15H17N4O+ MolecularWeight: 269.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N[N+]2=C(C1=O)N(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(N[N+]2=C(C1=O)N(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4O/c1-3-13-11(2)17-19-10-16-18(15(19)14(13)20)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3/p+1