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

Systemtic Name: 4-[5,6-bis(chloranyl)-3-decyl-2-methyl-benzimidazol-1-ium-1-yl]butanoic acid bromide Openeye Name: 4-(5,6-dichloro-3-decyl-2-methyl-benzimidazol-1-ium-1-yl)butanoic acid bromide CAS Name: 4-(5,6-dichloro-3-decyl-2-methyl-1-benzimidazol-1-iumyl)butanoic acid bromide IUPAC Name: 4-(5,6-dichloro-3-decyl-2-methylbenzimidazol-1-ium-1-yl)butanoic acid bromide Traditional Name: 4-(5,6-dichloro-3-decyl-2-methyl-benzimidazol-1-ium-1-yl)butyric acid bromide Formula: C22H33BrCl2N2O2 MolecularWeight: 508.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

InChI

InChI=1S/C22H32Cl2N2O2.BrH/c1-3-4-5-6-7-8-9-10-13-25-17(2)26(14-11-12-22(27)28)21-16-19(24)18(23)15-20(21)25;/h15-16H,3-14H2,1-2H3;1H