3-[6-[[2-(3-azaniumylpropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylazanium

Systemtic Name: 3-[6-[[2-(3-azaniumylpropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylazanium Openeye Name: 3-[6-[[2-(3-azaniumylpropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylammonium CAS Name: 3-[6-[[2-(3-ammoniopropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylammonium IUPAC Name: 3-[6-[[2-(3-azaniumylpropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylazanium Traditional Name: 3-[6-[[2-(3-ammoniopropyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazol-2-yl]propylammonium Formula: C21H28N6+2 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC3=CC4=C(C=C3)N=C(N4)CCC[NH3+])NC(=N2)CCC[NH3+]

Isomeric SMILES

C1=CC2=C(C=C1CC3=CC4=C(C=C3)N=C(N4)CCC[NH3+])NC(=N2)CCC[NH3+]

InChI

InChI=1S/C21H26N6/c22-9-1-3-20-24-16-7-5-14(12-18(16)26-20)11-15-6-8-17-19(13-15)27-21(25-17)4-2-10-23/h5-8,12-13H,1-4,9-11,22-23H2,(H,24,26)(H,25,27)/p+2