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

Systemtic Name: (5S)-1-phenethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-phenethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-phenethyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-phenethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-phenethyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C19H27N5O3+2 MolecularWeight: 373.44938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN=C[C@H]2C(=O)NC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3/c25-17-16(14-21-9-13-23-11-7-20-8-12-23)18(26)24(19(27)22-17)10-6-15-4-2-1-3-5-15/h1-5,14,16,20H,6-13H2,(H,22,25,27)/p+2/t16-/m0/s1