N-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-benzimidazol-3-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N-[(E)-2-(5-chloranyl-3-methyl-1-phenyl-benzimidazol-3-ium-2-yl)ethenyl]aniline iodide Openeye Name: N-[(E)-2-(5-chloro-3-methyl-1-phenyl-benzimidazol-3-ium-2-yl)vinyl]aniline iodide CAS Name: N-[(E)-2-(5-chloro-3-methyl-1-phenyl-2-benzimidazol-3-iumyl)ethenyl]aniline iodide IUPAC Name: N-[(E)-2-(5-chloro-3-methyl-1-phenylbenzimidazol-3-ium-2-yl)ethenyl]aniline iodide Traditional Name: [(E)-2-(5-chloro-3-methyl-1-phenyl-benzimidazol-3-ium-2-yl)vinyl]-phenyl-amine iodide Formula: C22H19ClIN3 MolecularWeight: 487.76383

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)C=CNC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)/C=C/NC4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H18ClN3.HI/c1-25-21-16-17(23)12-13-20(21)26(19-10-6-3-7-11-19)22(25)14-15-24-18-8-4-2-5-9-18;/h2-16H,1H3;1H