1-butyl-5,6-bis(chloranyl)-2-methyl-3-pentyl-benzimidazol-3-ium iodide

Systemtic Name: 1-butyl-5,6-bis(chloranyl)-2-methyl-3-pentyl-benzimidazol-3-ium iodide Openeye Name: 1-butyl-5,6-dichloro-2-methyl-3-pentyl-benzimidazol-3-ium iodide CAS Name: 1-butyl-5,6-dichloro-2-methyl-3-pentylbenzimidazol-3-ium iodide IUPAC Name: 1-butyl-5,6-dichloro-2-methyl-3-pentylbenzimidazol-3-ium iodide Traditional Name: 1-amyl-3-butyl-5,6-dichloro-2-methyl-benzimidazol-1-ium iodide Formula: C17H25Cl2IN2 MolecularWeight: 455.20427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCCC)C.[I-]

Isomeric SMILES

CCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCCC)C.[I-]

InChI

InChI=1S/C17H25Cl2N2.HI/c1-4-6-8-10-21-13(3)20(9-7-5-2)16-11-14(18)15(19)12-17(16)21;/h11-12H,4-10H2,1-3H3;1H/q+1;/p-1