2-[2,3-bis(azanyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2,3-bis(azanyl)benzimidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2,3-diamino-1-benzimidazol-1-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2,3-diaminobenzimidazol-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C15H15BrN4O MolecularWeight: 347.2098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)N)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)N)N.[Br-]

InChI

InChI=1S/C15H14N4O.BrH/c16-15-18(10-14(20)11-6-2-1-3-7-11)12-8-4-5-9-13(12)19(15)17;/h1-9,16H,10,17H2;1H