TVO
Summary
| Name: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol |
| Formula: | C13 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 218.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | YOMLWJZQKDDDDV-CHWSQXEVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CNC[C@H]1N2CCc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | O[CH]1CNC[CH]1N2CCc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN(C2)[C@@H]3CNC[C@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN(C2)C3CNCC3O |
