(2Z)-5-chloranyl-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-5-chloranyl-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-5-chloro-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-5-chloro-3-ethyl-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-5-chloro-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-5-chloro-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C22H22ClIN2OS MolecularWeight: 524.84535

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC.[I-]

InChI

InChI=1S/C22H22ClN2OS.HI/c1-4-24-17(8-6-15-12-18(26-3)9-10-19(15)24)14-22-25(5-2)20-13-16(23)7-11-21(20)27-22;/h6-14H,4-5H2,1-3H3;1H/q+1;/p-1