1-[(3-nitrophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Traditional Name: 1-(3-nitrobenzyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium Formula: C17H18F3N4O2+ MolecularWeight: 367.34563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)14-4-5-16(21-11-14)23-8-6-22(7-9-23)12-13-2-1-3-15(10-13)24(25)26/h1-5,10-11H,6-9,12H2/p+1