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

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C18H18ClF3N4O3 MolecularWeight: 430.80873

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N4O3.ClH/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;1H/q+1;/p-1