4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[3-(trifluoromethyl)benzoyl]piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[3-(trifluoromethyl)benzoyl]piperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[3-(trifluoromethyl)benzoyl]piperazine-1-carboxamide Formula: C19H16ClF6N4O2+ MolecularWeight: 481.799359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H15ClF6N4O2/c20-14-9-13(19(24,25)26)10-27-15(14)29-4-6-30(7-5-29)17(32)28-16(31)11-2-1-3-12(8-11)18(21,22)23/h1-3,8-10H,4-7H2,(H,28,31,32)/p+1