6-(4-fluoranyl-3-methyl-phenyl)-3-(2-methylpropyl)-2-oxidanidyl-pyridazin-2-ium-4-carboxylic acid

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-3-(2-methylpropyl)-2-oxidanidyl-pyridazin-2-ium-4-carboxylic acid Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-3-isobutyl-2-oxido-pyridazin-2-ium-4-carboxylic acid CAS Name: 6-(4-fluoro-3-methylphenyl)-3-(2-methylpropyl)-2-oxido-4-pyridazin-2-iumcarboxylic acid IUPAC Name: 6-(4-fluoro-3-methylphenyl)-3-(2-methylpropyl)-2-oxidopyridazin-2-ium-4-carboxylic acid Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-3-isobutyl-2-oxido-pyridazin-2-ium-4-carboxylic acid Formula: C16H17FN2O3 MolecularWeight: 304.316183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=N[N+](=C(C(=C2)C(=O)O)CC(C)C)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=N[N+](=C(C(=C2)C(=O)O)CC(C)C)[O-])F

InChI

InChI=1S/C16H17FN2O3/c1-9(2)6-15-12(16(20)21)8-14(18-19(15)22)11-4-5-13(17)10(3)7-11/h4-5,7-9H,6H2,1-3H3,(H,20,21)