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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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