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

Systemtic Name: 5-nitro-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]benzonitrile Formula: C19H18F3N4O2+ MolecularWeight: 391.36703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)16-3-1-2-14(10-16)13-24-6-8-25(9-7-24)18-5-4-17(26(27)28)11-15(18)12-23/h1-5,10-11H,6-9,13H2/p+1