[6-(4-fluoranyl-3-methyl-phenyl)-3-(2-methylpropyl)-2-oxidanidyl-pyridazin-2-ium-4-yl]methanamine

Systemtic Name: [6-(4-fluoranyl-3-methyl-phenyl)-3-(2-methylpropyl)-2-oxidanidyl-pyridazin-2-ium-4-yl]methanamine Openeye Name: [6-(4-fluoro-3-methyl-phenyl)-3-isobutyl-2-oxido-pyridazin-2-ium-4-yl]methanamine CAS Name: [6-(4-fluoro-3-methylphenyl)-3-(2-methylpropyl)-2-oxido-4-pyridazin-2-iumyl]methanamine IUPAC Name: [6-(4-fluoro-3-methylphenyl)-3-(2-methylpropyl)-2-oxidopyridazin-2-ium-4-yl]methanamine Traditional Name: [6-(4-fluoro-3-methyl-phenyl)-3-isobutyl-2-oxido-pyridazin-2-ium-4-yl]methylamine Formula: C16H20FN3O MolecularWeight: 289.347903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O/c1-10(2)6-16-13(9-18)8-15(19-20(16)21)12-4-5-14(17)11(3)7-12/h4-5,7-8,10H,6,9,18H2,1-3H3