4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide

Systemtic Name: 4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide Openeye Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide CAS Name: 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]benzamide IUPAC Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzamide Traditional Name: 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]benzamide Formula: C17H17ClF3N4O+ MolecularWeight: 385.79129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4O/c18-14-9-12(17(19,20)21)10-23-16(14)25-7-5-24(6-8-25)13-3-1-11(2-4-13)15(22)26/h1-4,9-10H,5-8H2,(H2,22,26)/p+1