3-(3-aminophenyl)-1-[(4-fluorophenyl)methyl]-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-(3-aminophenyl)-1-[(4-fluorophenyl)methyl]-3H-pyridazin-1-ium-6-one Openeye Name: 3-(3-aminophenyl)-1-[(4-fluorophenyl)methyl]-3H-pyridazin-1-ium-6-one CAS Name: 3-(3-aminophenyl)-1-[(4-fluorophenyl)methyl]-3H-pyridazin-1-ium-6-one IUPAC Name: 3-(3-aminophenyl)-1-[(4-fluorophenyl)methyl]-3H-pyridazin-1-ium-6-one Traditional Name: 3-(3-aminophenyl)-1-(4-fluorobenzyl)-3H-pyridazin-1-ium-6-one Formula: C17H15FN3O+ MolecularWeight: 296.318903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2C=CC(=O)[N+](=N2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)N)C2C=CC(=O)[N+](=N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN3O/c18-14-6-4-12(5-7-14)11-21-17(22)9-8-16(20-21)13-2-1-3-15(19)10-13/h1-10,16H,11,19H2/q+1