N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1-phenylcyclobutyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C23H27F3N3O+ MolecularWeight: 418.47519

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC(C1)(CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H26F3N3O/c24-23(25,26)19-7-8-20(27-15-19)29-13-9-17(10-14-29)21(30)28-16-22(11-4-12-22)18-5-2-1-3-6-18/h1-3,5-8,15,17H,4,9-14,16H2,(H,28,30)/p+1