4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]benzamide Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)N)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)15-5-6-16(23-11-15)25-9-7-24(8-10-25)12-13-1-3-14(4-2-13)17(22)26/h1-6,11H,7-10,12H2,(H2,22,26)/p+1