5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C18H22N4O2/c1-20-18(23)11-16(12-19-20)22-7-5-21(6-8-22)13-14-2-3-17-15(10-14)4-9-24-17/h2-3,10-12H,4-9,13H2,1H3/p+1