N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-piperonylamide Formula: C23H24N5O3+ MolecularWeight: 418.46836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O3/c1-27-9-11-28(12-10-27)22-8-6-19(25-26-22)16-3-2-4-18(13-16)24-23(29)17-5-7-20-21(14-17)31-15-30-20/h2-8,13-14H,9-12,15H2,1H3,(H,24,29)/p+1