6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-pyridazin-3-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 2-methyl-6-(4-piperonylpiperazin-4-ium-1-carbonyl)pyridazin-3-one Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O4/c1-20-17(23)5-3-14(19-20)18(24)22-8-6-21(7-9-22)11-13-2-4-15-16(10-13)26-12-25-15/h2-5,10H,6-9,11-12H2,1H3/p+1