VPW
Summary
| Name: | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
| Formula: | C11 H12 Cl N |
| Formal charge: | 0 |
| Formula weight: | 193.673 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
| OpenEye OEToolkits | 2.0.7 | 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C1=CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2 |
| InChIKey | InChI | 1.06 | SXOMHACGFSJBIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)C2=CCNCC2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)C2=CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=CCNCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2=CCNCC2)Cl |
