2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C17H18BrN3O2 MolecularWeight: 376.24772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)OC)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)OC)N.[Br-]

InChI

InChI=1S/C17H17N3O2.BrH/c1-19-14-5-3-4-6-15(14)20(17(19)18)11-16(21)12-7-9-13(22-2)10-8-12;/h3-10,18H,11H2,1-2H3;1H