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

Systemtic Name: 4-[3-(3,4-dimethylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O)C

Isomeric SMILES

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

InChI

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