(2Z)-3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide

Systemtic Name: (2Z)-3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide Openeye Name: (2Z)-3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-3-methyl-2-[(1-methyl-4-pyridin-1-iumyl)methylidene]-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-methyl-2-[(1-methylpyridin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide Formula: C15H15IN2S MolecularWeight: 382.26247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2S.HI/c1-16-9-7-12(8-10-16)11-15-17(2)13-5-3-4-6-14(13)18-15;/h3-11H,1-2H3;1H/q+1;/p-1