5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]benzamide

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C25H24F3N4O4+ MolecularWeight: 501.47767

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C25H23F3N4O4/c26-25(27,28)36-21-9-6-19(7-10-21)29-24(33)22-16-20(32(34)35)8-11-23(22)31-14-12-30(13-15-31)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,29,33)/p+1