1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C13H17F3N3O2+ MolecularWeight: 304.28819

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O2/c1-2-17-5-7-18(8-6-17)11-4-3-10(13(14,15)16)9-12(11)19(20)21/h3-4,9H,2,5-8H2,1H3/p+1