N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H26N4O4/c1-15-12-20(21(26(29)30)13-16(15)2)23-22(28)14-24-8-10-25(11-9-24)19-6-4-18(5-7-19)17(3)27/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,28)/p+1