2CK
Summary
| Name: | 1,2,3,4-tetrahydroisoquinoline |
| Formula: | C9 H11 N |
| Formal charge: | 0 |
| Formula weight: | 133.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,2,3,4-tetrahydroisoquinoline |
| OpenEye OEToolkits | 1.7.6 | 1,2,3,4-tetrahydroisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc2c(c1)CNCC2 |
| InChI | InChI | 1.03 | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 |
| InChIKey | InChI | 1.03 | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Cc2ccccc2CN1 |
| SMILES | CACTVS | 3.385 | C1Cc2ccccc2CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCNC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CCNC2 |
