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

Systemtic Name: 6-chloranyl-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile iodide Openeye Name: 6-chloro-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile iodide CAS Name: 6-chloro-1,3-diethyl-2-methyl-5-benzimidazol-3-iumcarbonitrile iodide IUPAC Name: 6-chloro-1,3-diethyl-2-methylbenzimidazol-3-ium-5-carbonitrile iodide Traditional Name: 6-chloro-1,3-diethyl-2-methyl-benzimidazol-3-ium-5-carbonitrile iodide Formula: C13H15ClIN3 MolecularWeight: 375.63577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN3.HI/c1-4-16-9(3)17(5-2)13-7-11(14)10(8-15)6-12(13)16;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1