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

Systemtic Name: (2Z)-2-[(6-methoxy-1-methyl-quinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(6-methoxy-1-methyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(6-methoxy-1-methyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(6-methoxy-1-methylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(6-methoxy-1-methyl-quinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C20H19IN2OS MolecularWeight: 462.34713

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2OS.HI/c1-21-15(9-8-14-12-16(23-3)10-11-17(14)21)13-20-22(2)18-6-4-5-7-19(18)24-20;/h4-13H,1-3H3;1H/q+1;/p-1