2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C19H22FN4O3+ MolecularWeight: 373.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN4O3/c1-14-12-15(24(26)27)6-7-17(14)21-19(25)13-22-8-10-23(11-9-22)18-5-3-2-4-16(18)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)/p+1