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

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[(1-oxido-4-pyridin-1-iumyl)methylamino]-N-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylamino]-N-[3-(trifluoromethyl)phenyl]nicotinamide Formula: C19H15F3N4O2 MolecularWeight: 388.34321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=[N+](C=C3)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=[N+](C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C19H15F3N4O2/c20-19(21,22)14-3-1-4-15(11-14)25-18(27)16-5-2-8-23-17(16)24-12-13-6-9-26(28)10-7-13/h1-11H,12H2,(H,23,24)(H,25,27)