1-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C15H18ClF3N3O2+ MolecularWeight: 364.77053

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H17ClF3N3O2/c16-11-2-1-10(15(17,18)19)7-12(11)21-13(23)8-22-5-3-9(4-6-22)14(20)24/h1-2,7,9H,3-6,8H2,(H2,20,24)(H,21,23)/p+1