2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-[3-(3,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 2-[3-(3,4-dimethylphenyl)-6-keto-3H-pyridazin-1-ium-1-yl]propionic acid Formula: C15H17N2O3+ MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C=CC(=O)[N+](=N2)C(C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2C=CC(=O)[N+](=N2)C(C)C(=O)O)C

InChI

InChI=1S/C15H16N2O3/c1-9-4-5-12(8-10(9)2)13-6-7-14(18)17(16-13)11(3)15(19)20/h4-8,11,13H,1-3H3/p+1