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

Systemtic Name: 2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)piperazin-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-benzyl-acetamide Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O4/c31-25(27-18-20-7-3-1-4-8-20)19-28-13-15-29(16-14-28)23-12-11-22(17-24(23)30(33)34)26(32)21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2,(H,27,31)/p+1