5-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-phenyl-5-[1-[2-(1-piperazine-1,4-diiumyl)ethylimino]propyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-1-phenyl-barbituric acid Formula: C19H27N5O3+2 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCC[NH+]1CC[NH2+]CC1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=NCC[NH+]1CC[NH2+]CC1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3/c1-2-15(21-10-13-23-11-8-20-9-12-23)16-17(25)22-19(27)24(18(16)26)14-6-4-3-5-7-14/h3-7,16,20H,2,8-13H2,1H3,(H,22,25,27)/p+2