(2Z)-5-fluoranyl-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-5-fluoranyl-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-5-fluoro-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-5-fluoro-2-[(6-methoxy-1-methyl-2-phenyl-4-quinazolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-5-fluoro-2-[(6-methoxy-1-methyl-2-phenylquinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-5-fluoro-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C25H21FIN3OS MolecularWeight: 557.421613

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)F)SC1=CC3=NC(=[N+](C4=C3C=C(C=C4)OC)C)C5=CC=CC=C5.[I-]

Isomeric SMILES

CN\1C2=C(C=CC(=C2)F)S/C1=C\C3=NC(=[N+](C4=C3C=C(C=C4)OC)C)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C25H21FN3OS.HI/c1-28-22-13-17(26)9-12-23(22)31-24(28)15-20-19-14-18(30-3)10-11-21(19)29(2)25(27-20)16-7-5-4-6-8-16;/h4-15H,1-3H3;1H/q+1;/p-1