1,3,5-tris[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1,3,5-tris[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1,3,5-tris[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1,3,5-tris[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1,3,5-tris[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1,3,5-tris[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]isocyanuric acid Formula: C27H51N6O6+3 MolecularWeight: 555.73044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2C(=O)N(C(=O)N(C2=O)CC(C[NH+]3CCCCC3)O)CC(C[NH+]4CCCCC4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](CN2C(=O)N(C(=O)N(C2=O)C[C@H](C[NH+]3CCCCC3)O)C[C@H](C[NH+]4CCCCC4)O)O

InChI

InChI=1S/C27H48N6O6/c34-22(16-28-10-4-1-5-11-28)19-31-25(37)32(20-23(35)17-29-12-6-2-7-13-29)27(39)33(26(31)38)21-24(36)18-30-14-8-3-9-15-30/h22-24,34-36H,1-21H2/p+3/t22-,23-,24-/m0/s1