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

Systemtic Name: (2Z)-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(6-methoxy-1-methyl-2-phenyl-4-quinazolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(6-methoxy-1-methyl-2-phenylquinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(6-methoxy-1-methyl-2-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C25H22IN3OS MolecularWeight: 539.43115

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=NC(=[N+](C4=C3C=C(C=C4)OC)C)C5=CC=CC=C5.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=NC(=[N+](C4=C3C=C(C=C4)OC)C)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C25H22N3OS.HI/c1-27-22-11-7-8-12-23(22)30-24(27)16-20-19-15-18(29-3)13-14-21(19)28(2)25(26-20)17-9-5-4-6-10-17;/h4-16H,1-3H3;1H/q+1;/p-1