2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C17H19N6O2+ MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C17H18N6O2/c24-16-10-14(22-8-6-18-7-9-22)11-19-23(16)12-15-20-17(21-25-15)13-4-2-1-3-5-13/h1-5,10-11,18H,6-9,12H2/p+1