3-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide

Systemtic Name: 3-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide Openeye Name: 3-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)propanoic acid bromide CAS Name: 3-(2-amino-3-methyl-1-benzimidazol-3-iumyl)propanoic acid bromide IUPAC Name: 3-(2-amino-3-methylbenzimidazol-3-ium-1-yl)propanoic acid bromide Traditional Name: 3-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)propionic acid bromide Formula: C11H14BrN3O2 MolecularWeight: 300.15176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2.BrH/c1-13-8-4-2-3-5-9(8)14(11(13)12)7-6-10(15)16;/h2-5,12H,6-7H2,1H3,(H,15,16);1H