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

Systemtic Name: 2-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]ethanoic acid bromide Openeye Name: 2-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)acetic acid bromide CAS Name: 2-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-1-iumyl)acetic acid bromide IUPAC Name: 2-(5,6-dichloro-2-methyl-3-octylbenzimidazol-1-ium-1-yl)acetic acid bromide Traditional Name: 2-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)acetic acid bromide Formula: C18H25BrCl2N2O2 MolecularWeight: 452.2133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(=O)O)C.[Br-]

InChI

InChI=1S/C18H24Cl2N2O2.BrH/c1-3-4-5-6-7-8-9-21-13(2)22(12-18(23)24)17-11-15(20)14(19)10-16(17)21;/h10-11H,3-9,12H2,1-2H3;1H