Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OP(OC2CC1N(C)C(CC1)C2)c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.352 | CN1[C@@H]2CC[C@H]1CC(C2)O[P](O)(=O)c3ccccc3 |
SMILES | CACTVS | 3.352 | CN1[CH]2CC[CH]1CC(C2)O[P](O)(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CN1C2CCC1CC(C2)OP(=O)(c3ccccc3)O |
InChI | InChI | 1.03 | InChI=1S/C14H20NO3P/c1-15-11-7-8-12(15)10-13(9-11)18-19(16,17)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,16,17)/t11-,12+,13+ |
InChIKey | InChI | 1.03 | DUXLOXDDMDLSLH-ITGUQSILSA-N |