(3R)-1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate Openeye Name: (3R)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate CAS Name: (3R)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate IUPAC Name: (3R)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2,5-dimethylphenyl)-6-keto-4,5-dihydro-3H-pyridazin-1-ium-3-carboxylate Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)[N+]2=NC(CCC2=O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[N+]2=N[C@H](CCC2=O)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-8-3-4-9(2)11(7-8)15-12(16)6-5-10(14-15)13(17)18/h3-4,7,10H,5-6H2,1-2H3/t10-/m1/s1