2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C18H20F3N5+2 MolecularWeight: 363.38011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5/c19-18(20,21)13-5-6-17(22-11-13)26-9-7-25(8-10-26)12-16-23-14-3-1-2-4-15(14)24-16/h1-6,11H,7-10,12H2,(H,23,24)/p+2