N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide Openeye Name: N-(2,6-dimorpholinopyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[2,6-bis(4-morpholinyl)-3-pyridin-1-iumyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(2,6-dimorpholin-4-ylpyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-(2,6-dimorpholinopyridin-1-ium-3-yl)-3-(trifluoromethyl)benzamide Formula: C21H24F3N4O3+ MolecularWeight: 437.43547

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=[NH+]C(=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-2-15(14-16)20(29)25-17-4-5-18(27-6-10-30-11-7-27)26-19(17)28-8-12-31-13-9-28/h1-5,14H,6-13H2,(H,25,29)/p+1