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

Systemtic Name: 7-ethyl-6-methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Openeye Name: 1-benzyl-7-ethyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate CAS Name: 7-ethyl-6-methyl-1-(phenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate IUPAC Name: 1-benzyl-7-ethyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Traditional Name: 1-benzyl-7-ethyl-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=[N+](C=NN2CC3=CC=CC=C3)N=C1C)[O-]

Isomeric SMILES

CCC1=C(C2=[N+](C=NN2CC3=CC=CC=C3)N=C1C)[O-]

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