2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-(4-acetyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(4-acetyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

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