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

Systemtic Name: (2Z)-2-[(1,6-dimethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(1,6-dimethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1,6-dimethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1,6-dimethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(1,6-dimethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C20H19IN2S MolecularWeight: 446.34773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(C=C2)C=C3N(C4=CC=CC=C4S3)C)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C\3/N(C4=CC=CC=C4S3)C)C.[I-]

InChI

InChI=1S/C20H19N2S.HI/c1-14-8-11-17-15(12-14)9-10-16(21(17)2)13-20-22(3)18-6-4-5-7-19(18)23-20;/h4-13H,1-3H3;1H/q+1;/p-1