(2Z)-3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4C=C3)C.[I-]

InChI

InChI=1S/C20H19N2S.HI/c1-3-22-18-10-6-7-11-19(18)23-20(22)14-16-13-12-15-8-4-5-9-17(15)21(16)2;/h4-14H,3H2,1-2H3;1H/q+1;/p-1