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

Systemtic Name: 1-pyridin-1-ium-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-pyridin-1-ium-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2-pyridin-1-iumyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-pyridin-1-ium-2-yl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-pyridin-1-ium-2-yl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C17H20F3N3+2 MolecularWeight: 323.35601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H18F3N3/c18-17(19,20)15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)16-6-1-2-7-21-16/h1-7,12H,8-11,13H2/p+2