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

Systemtic Name: N-tert-butyl-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-tert-butyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-23(2,3)24-21(28)16-25-11-13-26(14-12-25)19-10-9-18(15-20(19)27(30)31)22(29)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,24,28)/p+1