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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-(4-piperonylpiperazin-4-ium-1-carbonyl)-1H-pyridazin-6-one Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C17H18N4O4/c22-16-4-2-13(18-19-16)17(23)21-7-5-20(6-8-21)10-12-1-3-14-15(9-12)25-11-24-14/h1-4,9H,5-8,10-11H2,(H,19,22)/p+1