Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N1=C(OC2C1C(O)C(O)C2CO)N(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1 |
SMILES | CACTVS | 3.341 | CN(C)C1=N[CH]2[CH](O)[CH](O)[CH](CO)[CH]2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C1=NC2C(C(C(C2O1)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 |
InChIKey | InChI | 1.03 | MKJAYSJDHSEFRI-PVFLNQBWSA-N |