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

Systemtic Name: 2-[2-(1-oxidanidylpyridin-1-ium-4-yl)ethylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1-oxidopyridin-1-ium-4-yl)ethylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[2-(1-oxido-4-pyridin-1-iumyl)ethylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1-oxidopyridin-1-ium-4-yl)ethylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[2-(1-oxidopyridin-1-ium-4-yl)ethylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]nicotinamide Formula: C23H23F3N4O2 MolecularWeight: 444.44953

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCCC3=CC=[N+](C=C3)[O-])C(F)(F)F

Isomeric SMILES

CCCC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCCC3=CC=[N+](C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C23H23F3N4O2/c1-2-4-17-6-7-18(15-20(17)23(24,25)26)29-22(31)19-5-3-11-27-21(19)28-12-8-16-9-13-30(32)14-10-16/h3,5-7,9-11,13-15H,2,4,8,12H2,1H3,(H,27,28)(H,29,31)