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

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C20H24FN4O4+ MolecularWeight: 403.427363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O4/c1-29-19-7-6-17(25(27)28)14-18(19)22-20(26)8-9-23-10-12-24(13-11-23)16-4-2-15(21)3-5-16/h2-7,14H,8-13H2,1H3,(H,22,26)/p+1