2-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridyl]acetamide CAS Name: 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[2-keto-3-(trifluoromethyl)-1-pyridyl]acetamide Formula: C20H23F3N3O2+ MolecularWeight: 394.41073

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C=CC=C(C2=O)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C=CC=C(C2=O)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3O2/c21-20(22,23)17-7-4-10-26(19(17)28)14-18(27)24-16-8-11-25(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2,(H,24,27)/p+1