5-nitro-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]benzonitrile Formula: C17H15F3N5O2+ MolecularWeight: 378.32851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2/c18-17(19,20)13-1-4-16(22-11-13)24-7-5-23(6-8-24)15-3-2-14(25(26)27)9-12(15)10-21/h1-4,9,11H,5-8H2/p+1