4-[5,6-bis(chloranyl)-2-methyl-3-undecyl-benzimidazol-1-ium-1-yl]butanoic acid bromide

Systemtic Name: 4-[5,6-bis(chloranyl)-2-methyl-3-undecyl-benzimidazol-1-ium-1-yl]butanoic acid bromide Openeye Name: 4-(5,6-dichloro-2-methyl-3-undecyl-benzimidazol-1-ium-1-yl)butanoic acid bromide CAS Name: 4-(5,6-dichloro-2-methyl-3-undecyl-1-benzimidazol-1-iumyl)butanoic acid bromide IUPAC Name: 4-(5,6-dichloro-2-methyl-3-undecylbenzimidazol-1-ium-1-yl)butanoic acid bromide Traditional Name: 4-(5,6-dichloro-2-methyl-3-undecyl-benzimidazol-1-ium-1-yl)butyric acid bromide Formula: C23H35BrCl2N2O2 MolecularWeight: 522.3462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

InChI

InChI=1S/C23H34Cl2N2O2.BrH/c1-3-4-5-6-7-8-9-10-11-14-26-18(2)27(15-12-13-23(28)29)22-17-20(25)19(24)16-21(22)26;/h16-17H,3-15H2,1-2H3;1H