6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazin-4-ium-1-carbonyl]pyridazin-3-olate Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C15H18N6O4/c1-10-8-12(19-25-10)16-14(23)9-20-4-6-21(7-5-20)15(24)11-2-3-13(22)18-17-11/h2-3,8H,4-7,9H2,1H3,(H,18,22)(H,16,19,23)