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

Systemtic Name: N-tert-butyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C15H22F3N4O+ MolecularWeight: 331.35659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C(F)(F)F

InChI

InChI=1S/C15H21F3N4O/c1-14(2,3)20-13(23)22-9-7-21(8-10-22)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3,(H,20,23)/p+1