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

Systemtic Name: 1,3-dicyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dicyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dicyclohexyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dicyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dicyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C23H39N5O3+2 MolecularWeight: 433.58746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C=NCC[NH+]4CC[NH2+]CC4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C=NCC[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C23H37N5O3/c29-21-20(17-25-13-16-26-14-11-24-12-15-26)22(30)28(19-9-5-2-6-10-19)23(31)27(21)18-7-3-1-4-8-18/h17-20,24H,1-16H2/p+2