Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCC1N(CCCCCCCCC)CC(O)C(O)C1O |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
SMILES | CACTVS | 3.341 | CCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCN1CC(C(C(C1CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | FTSCEGKYKXESFF-LXTVHRRPSA-N |