3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]pyridin-1-ium

Systemtic Name: 3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]pyridin-1-ium Openeye Name: 3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1-piperidyl]pyridin-1-ium CAS Name: 3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]-1-piperidinyl]pyridin-1-ium IUPAC Name: 3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]pyridin-1-ium Traditional Name: 3-nitro-2-[4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidino]pyridin-1-ium Formula: C20H19F3N5O2+ MolecularWeight: 418.39237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)15-4-1-3-14(11-15)17-12-16(25-26-17)13-6-9-27(10-7-13)19-18(28(29)30)5-2-8-24-19/h1-5,8,11-13H,6-7,9-10H2,(H,25,26)/p+1