1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one Openeye Name: 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one CAS Name: 1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-(trifluoromethyl)-2-pyridinone IUPAC Name: 1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one Traditional Name: 1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-(trifluoromethyl)-2-pyridone Formula: C17H18F3N4O2+ MolecularWeight: 367.34563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=C(C=CC3=O)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)13-4-5-15(25)24(11-13)12-16(26)23-9-7-22(8-10-23)14-3-1-2-6-21-14/h1-6,11H,7-10,12H2/p+1