(2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenyl-4-quinazolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenylquinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(6,7-dimethoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C26H24IN3O2S MolecularWeight: 569.45713

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=NC(=[N+](C4=CC(=C(C=C43)OC)OC)C)C5=CC=CC=C5.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=NC(=[N+](C4=CC(=C(C=C43)OC)OC)C)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C26H24N3O2S.HI/c1-28-20-12-8-9-13-24(20)32-25(28)15-19-18-14-22(30-3)23(31-4)16-21(18)29(2)26(27-19)17-10-6-5-7-11-17;/h5-16H,1-4H3;1H/q+1;/p-1