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

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetonitrile Formula: C13H14F3N4O2+ MolecularWeight: 315.27107

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N4O2/c14-13(15,16)10-1-2-11(12(9-10)20(21)22)19-7-5-18(4-3-17)6-8-19/h1-2,9H,4-8H2/p+1