2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-1,3-benzothiazole iodide IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-1,3-benzothiazole iodide Formula: C13H11IN2S MolecularWeight: 354.20931

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.[I-]

InChI

InChI=1S/C13H11N2S.HI/c1-15-8-6-10(7-9-15)13-14-11-4-2-3-5-12(11)16-13;/h2-9H,1H3;1H/q+1;/p-1