T9F
Summary
| Name: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
| Formula: | C12 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 189.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)C1=CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3 |
| InChIKey | InChI | 1.06 | XWENGDIACIBQQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=CCNCC2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2=CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2=CCNCC2 |
