A1JDX
Summary
| Name: | 1-ethylisoquinoline |
| Formula: | C11 H11 N |
| Formal charge: | 0 |
| Formula weight: | 157.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-ethylisoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-8H,2H2,1H3 |
| InChIKey | InChI | 1.06 | UBDYMAZEEMMDCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nccc2ccccc12 |
| SMILES | CACTVS | 3.385 | CCc1nccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c2ccccc2ccn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c2ccccc2ccn1 |
