2-(4-azanyl-3-chloranyl-phenyl)-3H-benzimidazol-1-ium-5-amine

Systemtic Name: 2-(4-azanyl-3-chloranyl-phenyl)-3H-benzimidazol-1-ium-5-amine Openeye Name: 2-(4-amino-3-chloro-phenyl)-3H-benzimidazol-1-ium-5-amine CAS Name: 2-(4-amino-3-chlorophenyl)-3H-benzimidazol-1-ium-5-amine IUPAC Name: 2-(4-amino-3-chlorophenyl)-3H-benzimidazol-1-ium-5-amine Traditional Name: [4-(6-amino-1H-benzimidazol-3-ium-2-yl)-2-chloro-phenyl]amine Formula: C13H12ClN4+ MolecularWeight: 259.71418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=[NH+]C3=C(N2)C=C(C=C3)N)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1C2=[NH+]C3=C(N2)C=C(C=C3)N)Cl)N

InChI

InChI=1S/C13H11ClN4/c14-9-5-7(1-3-10(9)16)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,15-16H2,(H,17,18)/p+1