4-[(3-ethyl-6-fluoranyl-2-methyl-benzimidazol-3-ium-1-yl)methyl]benzoic acid bromide

Systemtic Name: 4-[(3-ethyl-6-fluoranyl-2-methyl-benzimidazol-3-ium-1-yl)methyl]benzoic acid bromide Openeye Name: 4-[(3-ethyl-6-fluoro-2-methyl-benzimidazol-3-ium-1-yl)methyl]benzoic acid bromide CAS Name: 4-[(3-ethyl-6-fluoro-2-methyl-1-benzimidazol-3-iumyl)methyl]benzoic acid bromide IUPAC Name: 4-[(3-ethyl-6-fluoro-2-methylbenzimidazol-3-ium-1-yl)methyl]benzoic acid bromide Traditional Name: 4-[(3-ethyl-6-fluoro-2-methyl-benzimidazol-3-ium-1-yl)methyl]benzoic acid bromide Formula: C18H18BrFN2O2 MolecularWeight: 393.250123

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)F)CC3=CC=C(C=C3)C(=O)O)C.[Br-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)F)CC3=CC=C(C=C3)C(=O)O)C.[Br-]

InChI

InChI=1S/C18H17FN2O2.BrH/c1-3-20-12(2)21(17-10-15(19)8-9-16(17)20)11-13-4-6-14(7-5-13)18(22)23;/h4-10H,3,11H2,1-2H3;1H