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

Systemtic Name: 8-methyl-7-(piperidin-1-ium-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one Openeye Name: 8-methyl-7-(piperidin-1-ium-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one CAS Name: 8-methyl-7-(1-piperidin-1-iumylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one IUPAC Name: 8-methyl-7-(piperidin-1-ium-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one Traditional Name: 8-methyl-7-(piperidin-1-ium-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one Formula: C12H18N5O+ MolecularWeight: 248.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN2C1=NN=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)NN2C1=NN=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C12H17N5O/c1-9-10(7-16-5-3-2-4-6-16)12(18)15-17-8-13-14-11(9)17/h8H,2-7H2,1H3,(H,15,18)/p+1