2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole iodide

Systemtic Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole iodide Openeye Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-benzimidazole iodide CAS Name: 2-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1H-benzimidazole iodide IUPAC Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-benzimidazole iodide Traditional Name: 2-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-benzimidazole iodide Formula: C15H14IN3 MolecularWeight: 363.19623

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2.[I-]

InChI

InChI=1S/C15H13N3.HI/c1-18-10-8-12(9-11-18)6-7-15-16-13-4-2-3-5-14(13)17-15;/h2-11H,1H3;1H