1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-2-pyridin-1-ium-1-yl-ethanone Formula: C18H18F3N4O3+ MolecularWeight: 395.35573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C[N+]3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C[N+]3=CC=CC=C3

InChI

InChI=1S/C18H18F3N4O3/c19-18(20,21)14-4-5-15(16(12-14)25(27)28)23-8-10-24(11-9-23)17(26)13-22-6-2-1-3-7-22/h1-7,12H,8-11,13H2/q+1