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

Systemtic Name: (5S)-1-(phenylmethyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-benzyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(phenylmethyl)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-benzyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-benzyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C18H25N5O3+2 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN=C[C@H]2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3/c24-16-15(12-20-8-11-22-9-6-19-7-10-22)17(25)23(18(26)21-16)13-14-4-2-1-3-5-14/h1-5,12,15,19H,6-11,13H2,(H,21,24,26)/p+2/t15-/m0/s1