1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide

Systemtic Name: 1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide Openeye Name: 1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide CAS Name: 1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide IUPAC Name: 1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide Traditional Name: 1,3-dimethyl-2-(4-nitrophenyl)benzimidazol-3-ium iodide Formula: C15H14IN3O2 MolecularWeight: 395.19503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C15H14N3O2.HI/c1-16-13-5-3-4-6-14(13)17(2)15(16)11-7-9-12(10-8-11)18(19)20;/h3-10H,1-2H3;1H/q+1;/p-1