5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propylamino]pyridine-3-carbonitrile

Systemtic Name: 5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propylamino]pyridine-3-carbonitrile Openeye Name: 5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propylamino]pyridine-3-carbonitrile CAS Name: 5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propylamino]-3-pyridinecarbonitrile IUPAC Name: 5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propylamino]pyridine-3-carbonitrile Traditional Name: 5-nitro-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propylamino]nicotinonitrile Formula: C20H22F3N6O2+ MolecularWeight: 435.42289

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=NC=C(C=C2C#N)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=NC=C(C=C2C#N)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N6O2/c21-20(22,23)16-3-1-4-17(12-16)28-9-7-27(8-10-28)6-2-5-25-19-15(13-24)11-18(14-26-19)29(30)31/h1,3-4,11-12,14H,2,5-10H2,(H,25,26)/p+1