PQX
Summary
| Name: | 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid |
| Formula: | C18 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 283.365 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | KGMWLBRRSONKQK-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O |
