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

Systemtic Name: N-methyl-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-methyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-21-19(25)14-22-9-11-23(12-10-22)17-8-7-16(13-18(17)24(27)28)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)/p+1