(1-oxidanidylpyridin-1-ium-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C17H16F3N3O2 MolecularWeight: 351.32305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C17H16F3N3O2/c18-17(19,20)14-4-1-5-15(11-14)21-7-9-22(10-8-21)16(24)13-3-2-6-23(25)12-13/h1-6,11-12H,7-10H2