2-[3-(4-chlorophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]butanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]butanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]butanoic acid CAS Name: 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]butanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]butanoic acid Traditional Name: 2-[3-(4-chlorophenyl)-6-keto-3H-pyridazin-1-ium-1-yl]butyric acid Formula: C14H14ClN2O3+ MolecularWeight: 293.72556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3/c1-2-12(14(19)20)17-13(18)8-7-11(16-17)9-3-5-10(15)6-4-9/h3-8,11-12H,2H2,1H3/p+1