3-(6-chloranyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide

Systemtic Name: 3-(6-chloranyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide Openeye Name: 3-(6-chloro-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide CAS Name: 3-(6-chloro-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)propanoic acid bromide IUPAC Name: 3-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propanoic acid bromide Traditional Name: 3-(6-chloro-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propionic acid bromide Formula: C13H16BrClN2O2 MolecularWeight: 347.63534

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCC(=O)O)C.[Br-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCC(=O)O)C.[Br-]

InChI

InChI=1S/C13H15ClN2O2.BrH/c1-3-15-9(2)16(7-6-13(17)18)12-8-10(14)4-5-11(12)15;/h4-5,8H,3,6-7H2,1-2H3;1H