2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzothiazole iodide

Systemtic Name: 2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzothiazole iodide Openeye Name: 2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzothiazole iodide CAS Name: 2-(1-ethyl-3-pyridin-1-iumyl)-1,3-benzothiazole iodide IUPAC Name: 2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzothiazole iodide Traditional Name: 2-(1-ethylpyridin-1-ium-3-yl)-1,3-benzothiazole iodide Formula: C14H13IN2S MolecularWeight: 368.23589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N2S.HI/c1-2-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17-14;/h3-10H,2H2,1H3;1H/q+1;/p-1