1-(5-nitropyridin-1-ium-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C17H19F3N4O2+2 MolecularWeight: 368.35357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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