Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cccc(CN(C1C2OC(C(N)C1O)CO2)C)c3 |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O3/c1-16(7-9-5-3-2-4-6-9)12-13(17)11(15)10-8-18-14(12)19-10/h2-6,10-14,17H,7-8,15H2,1H3/t10-,11-,12-,13+,14-/m1/s1 |
InChIKey | InChI | 1.03 | YJSWHNBNNGQGQD-XGFWRYKXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccccc1)[C@@H]2[C@@H](O)[C@H](N)[C@H]3CO[C@@H]2O3 |
SMILES | CACTVS | 3.385 | CN(Cc1ccccc1)[CH]2[CH](O)[CH](N)[CH]3CO[CH]2O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(Cc1ccccc1)C2C(C(C3COC2O3)N)O |