1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[[6-(1-pyrrolidinyl)-3-pyridazinyl]oxy]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyethanone Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-2-(6-pyrrolidinopyridazin-3-yl)oxy-ethanone Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N5O4/c28-22(15-29-21-6-5-20(23-24-21)26-7-1-2-8-26)27-11-9-25(10-12-27)14-17-3-4-18-19(13-17)31-16-30-18/h3-6,13H,1-2,7-12,14-16H2/p+1