N-(2-methoxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C21H24F3N4O4+ MolecularWeight: 453.43487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O4/c1-32-19-6-5-17(28(30)31)14-18(19)25-20(29)7-8-26-9-11-27(12-10-26)16-4-2-3-15(13-16)21(22,23)24/h2-6,13-14H,7-12H2,1H3,(H,25,29)/p+1