A1BED
Summary
| Name: | (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
| Formula: | C15 H15 N |
| Formal charge: | 0 |
| Formula weight: | 209.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S})-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1ccc2CCNC(c2c1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | PRTRSEDVLBBFJZ-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Cc2ccccc2[C@@H](N1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | C1Cc2ccccc2[CH](N1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[C@H]2c3ccccc3CCN2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2c3ccccc3CCN2 |
