1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-ethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]methyl]piperidin-1-ium-4-carboxamide Formula: C21H25F3N3O2+ MolecularWeight: 408.43731

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)NCC2=C(N=CC=C2)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)NCC2=C(N=CC=C2)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c1-2-27-11-8-15(9-12-27)19(28)26-14-16-5-4-10-25-20(16)29-18-7-3-6-17(13-18)21(22,23)24/h3-7,10,13,15H,2,8-9,11-12,14H2,1H3,(H,26,28)/p+1