5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-(4-nitrophenyl)-1-piperazin-1-iumyl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[1-(4-nitrophenyl)piperazin-1-ium-1-yl]-5-(4-phenylphenyl)barbituric acid Formula: C26H24N5O5+ MolecularWeight: 486.49926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=CC=C(C=C2)[N+](=O)[O-])C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1)(C2=CC=C(C=C2)[N+](=O)[O-])C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O5/c32-23-26(24(33)29-25(34)28-23,20-8-6-19(7-9-20)18-4-2-1-3-5-18)31(16-14-27-15-17-31)22-12-10-21(11-13-22)30(35)36/h1-13,27H,14-17H2,(H-,28,29,32,33,34)/p+1