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

Systemtic Name: 4-[5,6-bis(chloranyl)-3-heptyl-2-methyl-benzimidazol-1-ium-1-yl]butanoic acid bromide Openeye Name: 4-(5,6-dichloro-3-heptyl-2-methyl-benzimidazol-1-ium-1-yl)butanoic acid bromide CAS Name: 4-(5,6-dichloro-3-heptyl-2-methyl-1-benzimidazol-1-iumyl)butanoic acid bromide IUPAC Name: 4-(5,6-dichloro-3-heptyl-2-methylbenzimidazol-1-ium-1-yl)butanoic acid bromide Traditional Name: 4-(5,6-dichloro-3-heptyl-2-methyl-benzimidazol-1-ium-1-yl)butyric acid bromide Formula: C19H27BrCl2N2O2 MolecularWeight: 466.23988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCC(=O)O)C.[Br-]

InChI

InChI=1S/C19H26Cl2N2O2.BrH/c1-3-4-5-6-7-10-22-14(2)23(11-8-9-19(24)25)18-13-16(21)15(20)12-17(18)22;/h12-13H,3-11H2,1-2H3;1H