2-(4-methylpiperazin-4-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c1-24-8-10-25(11-9-24)16-15(6-3-7-22-16)17(26)23-14-5-2-4-13(12-14)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)/p+1