5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridin-2-one

Systemtic Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridin-2-one CAS Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridin-2-one Traditional Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-2-pyridone Formula: C17H18F3N4O3+ MolecularWeight: 383.34503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O3/c18-17(19,20)13-2-1-3-14(10-13)22-8-6-21(7-9-22)12-23-11-15(24(26)27)4-5-16(23)25/h1-5,10-11H,6-9,12H2/p+1