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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O4/c1-14(20(26)22-18-13-17(25(27)28)7-8-19(18)29-2)23-9-11-24(12-10-23)16-5-3-15(21)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1