1-[(3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C18H19F3N3O2+ MolecularWeight: 366.35757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)15-4-2-5-16(12-15)23-9-7-22(8-10-23)13-14-3-1-6-17(11-14)24(25)26/h1-6,11-12H,7-10,13H2/p+1