4-[[4-[5-(1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-(1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[5-(1H-benzimidazol-2-yl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H24N6+2 MolecularWeight: 396.48756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=[NH+]C=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=[NH+]C=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H22N6/c25-15-18-5-7-19(8-6-18)17-29-11-13-30(14-12-29)23-10-9-20(16-26-23)24-27-21-3-1-2-4-22(21)28-24/h1-10,16H,11-14,17H2,(H,27,28)/p+2