5-chloranyl-3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium iodide

Systemtic Name: 5-chloranyl-3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium iodide Openeye Name: 1-benzyl-5-chloro-3-ethyl-2-methyl-benzimidazol-1-ium iodide CAS Name: 5-chloro-3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium iodide IUPAC Name: 1-benzyl-5-chloro-3-ethyl-2-methylbenzimidazol-1-ium iodide Traditional Name: 1-benzyl-5-chloro-3-ethyl-2-methyl-benzimidazol-1-ium iodide Formula: C17H18ClIN2 MolecularWeight: 412.69569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H18ClN2.HI/c1-3-19-13(2)20(12-14-7-5-4-6-8-14)16-10-9-15(18)11-17(16)19;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1