0BR
Summary
| Name: | (4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol |
| Formula: | C20 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 326.433 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol |
| OpenEye OEToolkits | 1.7.6 | (R)-[(1R,2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(CC)C3)cc4)C |
| InChI | InChI | 1.03 | InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14+,19-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | LJOQGZACKSYWCH-FOEVPDMQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1C[N@@]2CC[C@@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34 |
| SMILES | CACTVS | 3.370 | CC[CH]1C[N]2CC[CH]1C[CH]2[CH](O)c3ccnc4ccc(OC)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1CN2CCC1CC2C(c3ccnc4c3cc(cc4)OC)O |
