5-chloranyl-2,3-dimethyl-1-(phenylmethyl)benzimidazol-1-ium iodide

Systemtic Name: 5-chloranyl-2,3-dimethyl-1-(phenylmethyl)benzimidazol-1-ium iodide Openeye Name: 1-benzyl-5-chloro-2,3-dimethyl-benzimidazol-1-ium iodide CAS Name: 5-chloro-2,3-dimethyl-1-(phenylmethyl)benzimidazol-1-ium iodide IUPAC Name: 1-benzyl-5-chloro-2,3-dimethylbenzimidazol-1-ium iodide Traditional Name: 1-benzyl-5-chloro-2,3-dimethyl-benzimidazol-1-ium iodide Formula: C16H16ClIN2 MolecularWeight: 398.66911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C)C=C(C=C2)Cl)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1C)C=C(C=C2)Cl)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H16ClN2.HI/c1-12-18(2)16-10-14(17)8-9-15(16)19(12)11-13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3;1H/q+1;/p-1