2-[3-methyl-2-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide bromide

Systemtic Name: 2-[3-methyl-2-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanamide bromide Openeye Name: 2-(2-benzyl-3-methyl-benzimidazol-3-ium-1-yl)acetamide bromide CAS Name: 2-[3-methyl-2-(phenylmethyl)-1-benzimidazol-3-iumyl]acetamide bromide IUPAC Name: 2-(2-benzyl-3-methylbenzimidazol-3-ium-1-yl)acetamide bromide Traditional Name: 2-(2-benzyl-3-methyl-benzimidazol-3-ium-1-yl)acetamide bromide Formula: C17H18BrN3O MolecularWeight: 360.24832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)N)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H17N3O.BrH/c1-19-14-9-5-6-10-15(14)20(12-16(18)21)17(19)11-13-7-3-2-4-8-13;/h2-10H,11-12H2,1H3,(H-,18,21);1H