1,3-dicyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dicyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dicyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dicyclohexyl-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dicyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dicyclohexyl-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C23H38N5O3+ MolecularWeight: 432.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)N(C2=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)N(C2=O)C4CCCCC4

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/h17-19,24-25H,1-16H2/p+1