1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-(3-pyridylmethyl)piperazin-4-ium Formula: C17H18F3N4O2+ MolecularWeight: 367.34563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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