4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide Formula: C18H17F3N5O2+ MolecularWeight: 392.35509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H16F3N5O2/c19-18(20,21)28-15-5-3-14(4-6-15)24-17(27)26-10-8-25(9-11-26)16-13(12-22)2-1-7-23-16/h1-7H,8-11H2,(H,24,27)/p+1