2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide

Systemtic Name: 2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide Openeye Name: 2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol iodide CAS Name: 2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide IUPAC Name: 2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol iodide Traditional Name: 2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol iodide Formula: C16H17IN2OS MolecularWeight: 412.28845

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C2N(C3=CC=CC=C3S2)CCO.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C\2/N(C3=CC=CC=C3S2)CCO.[I-]

InChI

InChI=1S/C16H17N2OS.HI/c1-17-9-5-4-6-13(17)12-16-18(10-11-19)14-7-2-3-8-15(14)20-16;/h2-9,12,19H,10-11H2,1H3;1H/q+1;/p-1