2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole iodide

Systemtic Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole iodide Openeye Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole iodide CAS Name: 2-(1-pyridin-1-iumylmethyl)-1,3-benzothiazole iodide IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole iodide Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole iodide Formula: C13H11IN2S MolecularWeight: 354.20931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2.[I-]

InChI

InChI=1S/C13H11N2S.HI/c1-4-8-15(9-5-1)10-13-14-11-6-2-3-7-12(11)16-13;/h1-9H,10H2;1H/q+1;/p-1