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

Systemtic Name: 3-chloranyl-1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one Openeye Name: 3-chloro-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one CAS Name: 3-chloro-1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-(trifluoromethyl)-2-pyridinone IUPAC Name: 3-chloro-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one Traditional Name: 3-chloro-1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-(trifluoromethyl)-2-pyridone Formula: C17H17ClF3N4O2+ MolecularWeight: 401.79069

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

InChI

InChI=1S/C17H16ClF3N4O2/c18-13-9-12(17(19,20)21)10-25(16(13)27)11-15(26)24-7-5-23(6-8-24)14-3-1-2-4-22-14/h1-4,9-10H,5-8,11H2/p+1