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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H23ClF3N4O+ MolecularWeight: 391.83893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H22ClF3N4O/c18-14-10-13(17(19,20)21)11-22-16(14)25-8-6-24(7-9-25)15(26)12-23-4-2-1-3-5-23/h10-11H,1-9,12H2/p+1