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

Systemtic Name: 2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-2-10-23-21(27)16-24-11-13-25(14-12-24)19-9-8-18(15-20(19)26(29)30)22(28)17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3,(H,23,27)/p+1