N-(3-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-chlorophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C18H18ClF3N3O+ MolecularWeight: 384.80323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=CC=C2)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=CC=C2)Cl)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17ClF3N3O/c19-14-2-1-3-15(10-14)24-17(26)12-6-8-25(9-7-12)16-5-4-13(11-23-16)18(20,21)22/h1-5,10-12H,6-9H2,(H,24,26)/p+1