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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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