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

Systemtic Name: N-naphthalen-2-yl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(2-naphthyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(2-naphthalenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-naphthalen-2-yl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(2-naphthyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C21H20F3N4O+ MolecularWeight: 401.40491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)18-6-3-9-25-19(18)27-10-12-28(13-11-27)20(29)26-17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H,26,29)/p+1