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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1N)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1N)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H16N3O.BrH/c1-12-18(11-16(20)13-7-3-2-4-8-13)14-9-5-6-10-15(14)19(12)17;/h2-10H,11,17H2,1H3;1H/q+1;/p-1