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

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C16H16BrN3O MolecularWeight: 346.22174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O.BrH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,17H,11H2,1H3;1H