5-chloranyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C(=O)NN=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=C(C(=O)NN=C4)Cl

InChI

InChI=1S/C17H19ClN4O2/c18-16-14(10-19-20-17(16)23)22-6-4-21(5-7-22)11-12-1-2-15-13(9-12)3-8-24-15/h1-2,9-10H,3-8,11H2,(H,20,23)/p+1