Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O4/c1-22(2)11-12-24-16-9-7-15(8-10-16)20(23)21-13-17-14-25-18-5-3-4-6-19(18)26-17/h3-10,17H,11-14H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1 |
InChIKey | InChI | 1.03 | NBQTZYRRRDQNKE-QGZVFWFLSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2 |
SMILES | CACTVS | 3.385 | C[NH+](C)CCOc1ccc(cc1)C(=O)NC[CH]2COc3ccccc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2 |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH+](C)CCOc1ccc(cc1)C(=O)NCC2COc3ccccc3O2 |