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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-naphthalen-2-yl-piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2-naphthyl)piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(2-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-naphthalen-2-ylpiperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2-naphthyl)piperazine-1-carboxamide Formula: C21H19ClF3N4O+ MolecularWeight: 435.84997

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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)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18ClF3N4O/c22-18-12-16(21(23,24)25)13-26-19(18)28-7-9-29(10-8-28)20(30)27-17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13H,7-10H2,(H,27,30)/p+1