2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoic acid bromide

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoic acid bromide Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetic acid bromide CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)acetic acid bromide IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetic acid bromide Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetic acid bromide Formula: C12H16BrN3O2 MolecularWeight: 314.17834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)O.[Br-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)O.[Br-]

InChI

InChI=1S/C12H15N3O2.BrH/c1-2-7-14-9-5-3-4-6-10(9)15(12(14)13)8-11(16)17;/h3-6,13H,2,7-8H2,1H3,(H,16,17);1H