2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C19H20F3N4+ MolecularWeight: 361.38411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4/c20-19(21,22)14-4-3-5-15(12-14)26-10-8-25(9-11-26)13-18-23-16-6-1-2-7-17(16)24-18/h1-7,12H,8-11,13H2,(H,23,24)/p+1