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

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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