3-[3-(3,4-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid

Systemtic Name: 3-[3-(3,4-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[3-(3,4-dimethylphenyl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C19H18N2O3/c1-12-6-7-14(10-13(12)2)17-8-9-18(22)20-21(17)16-5-3-4-15(11-16)19(23)24/h3-7,10-11H,8-9H2,1-2H3,(H-,20,22,23,24)/p+1