2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-ethylamino]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-ethyl-amino]-N-(4-methoxyphenyl)acetamide Formula: C17H18ClF3N3O2+ MolecularWeight: 388.79193

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)OC)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)OC)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O2/c1-3-24(16-14(18)8-11(9-22-16)17(19,20)21)10-15(25)23-12-4-6-13(26-2)7-5-12/h4-9H,3,10H2,1-2H3,(H,23,25)/p+1