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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-[(1R)-1-phenylethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(1R)-1-phenylethyl]isonipecotamide Formula: C20H22ClF3N3O+ MolecularWeight: 412.85639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C20H21ClF3N3O/c1-13(14-5-3-2-4-6-14)26-19(28)15-7-9-27(10-8-15)18-17(21)11-16(12-25-18)20(22,23)24/h2-6,11-13,15H,7-10H2,1H3,(H,26,28)/p+1/t13-/m1/s1