6-chloranyl-2-(1-methylpyridin-1-ium-3-yl)-1H-benzimidazole iodide

Systemtic Name: 6-chloranyl-2-(1-methylpyridin-1-ium-3-yl)-1H-benzimidazole iodide Openeye Name: 6-chloro-2-(1-methylpyridin-1-ium-3-yl)-1H-benzimidazole iodide CAS Name: 6-chloro-2-(1-methyl-3-pyridin-1-iumyl)-1H-benzimidazole iodide IUPAC Name: 6-chloro-2-(1-methylpyridin-1-ium-3-yl)-1H-benzimidazole iodide Traditional Name: 6-chloro-2-(1-methylpyridin-1-ium-3-yl)-1H-benzimidazole iodide Formula: C13H11ClIN3 MolecularWeight: 371.60401

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl.[I-]

InChI

InChI=1S/C13H11ClN3.HI/c1-17-6-2-3-9(8-17)13-15-11-5-4-10(14)7-12(11)16-13;/h2-8H,1H3,(H,15,16);1H/q+1;/p-1