6-(2,3-dimethyl-5-nitro-benzimidazol-1-ium-1-yl)hexanoic acid iodide

Systemtic Name: 6-(2,3-dimethyl-5-nitro-benzimidazol-1-ium-1-yl)hexanoic acid iodide Openeye Name: 6-(2,3-dimethyl-5-nitro-benzimidazol-1-ium-1-yl)hexanoic acid iodide CAS Name: 6-(2,3-dimethyl-5-nitro-1-benzimidazol-1-iumyl)hexanoic acid iodide IUPAC Name: 6-(2,3-dimethyl-5-nitrobenzimidazol-1-ium-1-yl)hexanoic acid iodide Traditional Name: 6-(2,3-dimethyl-5-nitro-benzimidazol-1-ium-1-yl)hexanoic acid iodide Formula: C15H20IN3O4 MolecularWeight: 433.24147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C)C=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1C)C=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O.[I-]

InChI

InChI=1S/C15H19N3O4.HI/c1-11-16(2)14-10-12(18(21)22)7-8-13(14)17(11)9-5-3-4-6-15(19)20;/h7-8,10H,3-6,9H2,1-2H3;1H