(5S)-1-naphthalen-1-yl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-1-naphthalen-1-yl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-(1-naphthyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(1-naphthalenyl)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-naphthalen-1-yl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-(1-naphthyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C21H25N5O3+2 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN=C[C@H]2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O3/c27-19-17(14-23-10-13-25-11-8-22-9-12-25)20(28)26(21(29)24-19)18-7-3-5-15-4-1-2-6-16(15)18/h1-7,14,17,22H,8-13H2,(H,24,27,29)/p+2/t17-/m0/s1