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

Systemtic Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]nicotinamide Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC=N3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC=N3)C(=O)N

InChI

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