2-chloranyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]pyridine-4-carboxamide CAS Name: 2-chloro-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]isonicotinamide Formula: C17H17ClF3N4O+ MolecularWeight: 385.79129

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C17H16ClF3N4O/c18-14-8-11(5-6-22-14)16(26)24-13-2-1-7-25(10-13)15-4-3-12(9-23-15)17(19,20)21/h3-6,8-9,13H,1-2,7,10H2,(H,24,26)/p+1/t13-/m0/s1