5-chloranyl-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium iodide

Systemtic Name: 5-chloranyl-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium iodide Openeye Name: 5-chloro-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium iodide CAS Name: 5-chloro-1,3-diethyl-2-methyl-6-nitrobenzimidazol-1-ium iodide IUPAC Name: 5-chloro-1,3-diethyl-2-methyl-6-nitrobenzimidazol-1-ium iodide Traditional Name: 5-chloro-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium iodide Formula: C12H15ClIN3O2 MolecularWeight: 395.62387

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)[N+](=O)[O-])CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)[N+](=O)[O-])CC)C.[I-]

InChI

InChI=1S/C12H15ClN3O2.HI/c1-4-14-8(3)15(5-2)12-7-10(16(17)18)9(13)6-11(12)14;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1