3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-3-ium-2-amine CAS Name: 3-[3-(1-imidazolyl)propyl]-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C13H16N5+ MolecularWeight: 242.29964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CCCN3C=CN=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CCCN3C=CN=C3)N

InChI

InChI=1S/C13H15N5/c14-13-16-11-4-1-2-5-12(11)18(13)8-3-7-17-9-6-15-10-17/h1-2,4-6,9-10H,3,7-8H2,(H2,14,16)/p+1