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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15-13-19(25(28)29)7-8-20(15)22-21(27)14-23-9-11-24(12-10-23)18-5-3-17(4-6-18)16(2)26/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)/p+1