N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-4-(trifluoromethyl)benzamide Formula: C19H20F3N4O2+ MolecularWeight: 393.38291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N4O2/c20-19(21,22)15-3-1-14(2-4-15)18(28)24-13-17(27)26-11-9-25(10-12-26)16-5-7-23-8-6-16/h1-8H,9-13H2,(H,24,28)/p+1