N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethyl]thiophene-2-carboxamide Formula: C17H18F3N4O2S+ MolecularWeight: 399.41063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17F3N4O2S/c18-17(19,20)12-3-4-14(21-10-12)23-5-7-24(8-6-23)15(25)11-22-16(26)13-2-1-9-27-13/h1-4,9-10H,5-8,11H2,(H,22,26)/p+1