N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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