1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium iodide

Systemtic Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium iodide Openeye Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium iodide CAS Name: 1,3-diethyl-2-methyl-5-nitrobenzimidazol-1-ium iodide IUPAC Name: 1,3-diethyl-2-methyl-5-nitrobenzimidazol-1-ium iodide Traditional Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium iodide Formula: C12H16IN3O2 MolecularWeight: 361.17881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)[N+](=O)[O-])CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)[N+](=O)[O-])CC)C.[I-]

InChI

InChI=1S/C12H16N3O2.HI/c1-4-13-9(3)14(5-2)12-8-10(15(16)17)6-7-11(12)13;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1