5-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-3-ium-1-yl]pentanoic acid bromide

Systemtic Name: 5-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-3-ium-1-yl]pentanoic acid bromide Openeye Name: 5-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium-1-yl)pentanoic acid bromide CAS Name: 5-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-3-iumyl)pentanoic acid bromide IUPAC Name: 5-(5,6-dichloro-2-methyl-3-octylbenzimidazol-3-ium-1-yl)pentanoic acid bromide Traditional Name: 5-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-3-ium-1-yl)valeric acid bromide Formula: C21H31BrCl2N2O2 MolecularWeight: 494.29304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCC(=O)O)C.[Br-]

InChI

InChI=1S/C21H30Cl2N2O2.BrH/c1-3-4-5-6-7-9-12-24-16(2)25(13-10-8-11-21(26)27)20-15-18(23)17(22)14-19(20)24;/h14-15H,3-13H2,1-2H3;1H