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

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(3-pyridylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(3-pyridinylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(3-pyridylmethyl)-4-[4-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C18H21F3N3+ MolecularWeight: 336.37465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F

InChI

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