5-chloranyl-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide

Systemtic Name: 5-chloranyl-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide Openeye Name: 5-chloro-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide CAS Name: 5-chloro-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide IUPAC Name: 5-chloro-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide Traditional Name: 5-chloro-1-ethyl-2-methyl-3-phenyl-6-(trifluoromethyl)benzimidazol-1-ium iodide Formula: C17H15ClF3IN2 MolecularWeight: 466.66708

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C(=C2)Cl)C(F)(F)F)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C(=C2)Cl)C(F)(F)F)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H15ClF3N2.HI/c1-3-22-11(2)23(12-7-5-4-6-8-12)16-10-14(18)13(9-15(16)22)17(19,20)21;/h4-10H,3H2,1-2H3;1H/q+1;/p-1