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

Systemtic Name: N-tert-butyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[4-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[4-(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=[NH+]C=CC(=C2)C(F)(F)F

Isomeric SMILES

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

InChI

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