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

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[3-(hydroxymethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-methylolphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)15-4-5-17(23-11-15)25-8-6-14(7-9-25)18(27)24-16-3-1-2-13(10-16)12-26/h1-5,10-11,14,26H,6-9,12H2,(H,24,27)/p+1