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

Systemtic Name: 3-[6-oxidanylidene-3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[6-oxo-3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[6-oxo-3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[6-oxo-3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[6-keto-3-(4-propoxyphenyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-2-12-26-17-8-6-14(7-9-17)18-10-11-19(23)21-22(18)16-5-3-4-15(13-16)20(24)25/h3-9,13H,2,10-12H2,1H3,(H-,21,23,24,25)/p+1