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

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H17ClF3N4O+ MolecularWeight: 385.79129

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

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