1-(pyridin-1-ium-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-(3-pyridin-1-iumylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-(pyridin-1-ium-3-ylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazine-1,4-diium Formula: C18H23F3N3+3 MolecularWeight: 338.39053

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=C[NH+]=CC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=C[NH+]=CC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H20F3N3/c19-18(20,21)17-6-2-1-5-16(17)14-24-10-8-23(9-11-24)13-15-4-3-7-22-12-15/h1-7,12H,8-11,13-14H2/p+3