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

Systemtic Name: N-[(2S)-2-phenylpropyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(2S)-2-phenylpropyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-phenylpropyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-phenylpropyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(2S)-2-phenylpropyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H25F3N3O+ MolecularWeight: 392.43791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3O/c1-15(16-5-3-2-4-6-16)13-26-20(28)17-9-11-27(12-10-17)19-8-7-18(14-25-19)21(22,23)24/h2-8,14-15,17H,9-13H2,1H3,(H,26,28)/p+1/t15-/m1/s1