4-chloranyl-5-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C22H22ClN4O4+ MolecularWeight: 441.88748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H21ClN4O4/c23-21-17(12-24-27(22(21)29)16-4-2-1-3-5-16)26-8-6-25(7-9-26)13-15-10-19-20(11-18(15)28)31-14-30-19/h1-5,10-12,28H,6-9,13-14H2/p+1