2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetamide CAS Name: 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(1-propan-2-yl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetamide Formula: C16H23F3N3O2+ MolecularWeight: 346.36793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F

InChI

InChI=1S/C16H22F3N3O2/c1-11(2)21-7-5-13(6-8-21)20-14(23)10-22-9-12(16(17,18)19)3-4-15(22)24/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,23)/p+1