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

Systemtic Name: 4-[3-(2,5-dimethylthiophen-3-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 4-[3-(2,5-dimethyl-3-thienyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(2,5-dimethyl-3-thiophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-[3-(2,5-dimethylthiophen-3-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 4-[3-(2,5-dimethyl-3-thienyl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=[N+](NC(=O)CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=[N+](NC(=O)CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-10-9-14(11(2)23-10)15-7-8-16(20)18-19(15)13-5-3-12(4-6-13)17(21)22/h3-6,9H,7-8H2,1-2H3,(H-,18,20,21,22)/p+1