Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 |
InChIKey | InChI | 1.03 | JLEBZPBDRKPWTD-TURQNECASA-O |