1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide

Systemtic Name: 1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide Openeye Name: 1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide CAS Name: 1H-benzimidazol-2-yl-(1-butyl-4-pyridin-1-iumyl)methanone iodide IUPAC Name: 1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide Traditional Name: 1H-benzimidazol-2-yl-(1-butylpyridin-1-ium-4-yl)methanone iodide Formula: C17H18IN3O MolecularWeight: 407.24879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O.HI/c1-2-3-10-20-11-8-13(9-12-20)16(21)17-18-14-6-4-5-7-15(14)19-17;/h4-9,11-12H,2-3,10H2,1H3;1H