A1I3G
Summary
| Name: | 8-chloranyl-1,2,3,4-tetrahydroisoquinoline |
| Formula: | C9 H10 Cl N |
| Formal charge: | 0 |
| Formula weight: | 167.635 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-chloranyl-1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2 |
| InChIKey | InChI | 1.06 | HQSAGIBNZOOQQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2CCNCc12 |
| SMILES | CACTVS | 3.385 | Clc1cccc2CCNCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)CNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)CNCC2 |
