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

Systemtic Name: (2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-ethyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole iodide Formula: C16H17IN2S MolecularWeight: 396.28905

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C16H17N2S.HI/c1-3-18-14-9-4-5-10-15(14)19-16(18)12-13-8-6-7-11-17(13)2;/h4-12H,3H2,1-2H3;1H/q+1;/p-1