[4-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylphenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[6-ethanoyl-2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-pyridazin-4-yl]sulfanylphenyl]-trimethyl-azanium iodide Openeye Name: [4-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-pyridazin-4-yl]sulfanylphenyl]-trimethyl-ammonium iodide CAS Name: [4-[[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxo-4-pyridazinyl]thio]phenyl]-trimethylammonium iodide IUPAC Name: [4-[6-acetyl-2-(4-fluorophenyl)-5-methyl-3-oxopyridazin-4-yl]sulfanylphenyl]-trimethylazanium iodide Traditional Name: [4-[[6-acetyl-2-(4-fluorophenyl)-3-keto-5-methyl-pyridazin-4-yl]thio]phenyl]-trimethyl-ammonium iodide Formula: C22H23FIN3O2S MolecularWeight: 539.404793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=C(C(=O)N(N=C1C(=O)C)C2=CC=C(C=C2)F)SC3=CC=C(C=C3)[N+](C)(C)C.[I-]

InChI

InChI=1S/C22H23FN3O2S.HI/c1-14-20(15(2)27)24-25(17-8-6-16(23)7-9-17)22(28)21(14)29-19-12-10-18(11-13-19)26(3,4)5;/h6-13H,1-5H3;1H/q+1;/p-1