2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazole

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazole Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazole CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazole Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazole Formula: C17H21N5+2 MolecularWeight: 295.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)/p+2