5-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenoxy]-N-(1-methylpiperidin-1-ium-1-yl)-2-nitro-benzamide

Systemtic Name: 5-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenoxy]-N-(1-methylpiperidin-1-ium-1-yl)-2-nitro-benzamide Openeye Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-(1-methylpiperidin-1-ium-1-yl)-2-nitro-benzamide CAS Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-(1-methyl-1-piperidin-1-iumyl)-2-nitrobenzamide IUPAC Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-(1-methylpiperidin-1-ium-1-yl)-2-nitrobenzamide Traditional Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-(1-methylpiperidin-1-ium-1-yl)-2-nitro-benzamide Formula: C20H19ClF4N3O4+ MolecularWeight: 476.829173

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Cl)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)NC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Cl)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClF4N3O4/c1-28(7-3-2-4-8-28)26-19(29)14-11-13(5-6-17(14)27(30)31)32-18-15(21)9-12(10-16(18)22)20(23,24)25/h5-6,9-11H,2-4,7-8H2,1H3/p+1