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

Systemtic Name: 3-[3-(2,4-dimethylphenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 3-[3-(2,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 3-[3-(2,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 3-[3-(2,4-dimethylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 3-[3-(2,4-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=CC(=C(C=C1)C2C=CC(=O)[N+](=N2)CCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c1-10-3-4-12(11(2)9-10)13-5-6-14(18)17(16-13)8-7-15(19)20/h3-6,9,13H,7-8H2,1-2H3/p+1