(2E)-3-methyl-2-(pyridin-1-ium-1-ylmethylidene)-1,3-benzothiazole iodide

Systemtic Name: (2E)-3-methyl-2-(pyridin-1-ium-1-ylmethylidene)-1,3-benzothiazole iodide Openeye Name: (2E)-3-methyl-2-(pyridin-1-ium-1-ylmethylene)-1,3-benzothiazole iodide CAS Name: (2E)-3-methyl-2-(1-pyridin-1-iumylmethylidene)-1,3-benzothiazole iodide IUPAC Name: (2E)-3-methyl-2-(pyridin-1-ium-1-ylmethylidene)-1,3-benzothiazole iodide Traditional Name: (2E)-3-methyl-2-(pyridin-1-ium-1-ylmethylene)-1,3-benzothiazole iodide Formula: C14H13IN2S MolecularWeight: 368.23589

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C[N+]3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N2S.HI/c1-15-12-7-3-4-8-13(12)17-14(15)11-16-9-5-2-6-10-16;/h2-11H,1H3;1H/q+1;/p-1/b14-11+;