N-(2,3-dimethylphenyl)-2-[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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