6BT
Summary
| Name: | [(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol |
| Formula: | C10 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 163.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol |
| OpenEye OEToolkits | 2.0.4 | [(1~{R})-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CNC(CO)c2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | BGGIPVPHBWWEJT-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1NCCc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC[CH]1NCCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)CCN[C@H]2CO |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)CCNC2CO |
