2-[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(1-benzimidazolylmethyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H23F3N5O+ MolecularWeight: 418.43543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)CN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H22F3N5O/c22-21(23,24)16-5-1-2-6-17(16)26-20(30)13-27-9-11-28(12-10-27)15-29-14-25-18-7-3-4-8-19(18)29/h1-8,14H,9-13,15H2,(H,26,30)/p+1