| PDB CCD ID: | P0Q |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H18 Cl N O |
| InChI: | InChI=1S/C13H18ClNO/c1-9-12(16-8-13(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,12,15H,8H2,1-3H3/t9-,12+/m1/s1 |
| InChIKey: | KLPHSXVQSDRPPX-SKDRFNHKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H]1NC(C)(C)CO[C@@H]1c2cccc(Cl)c2 | | CACTVS 3.385 | C[CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2 | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl | | OpenEye OEToolkits 2.0.7 | CC1C(OCC(N1)(C)C)c2cccc(c2)Cl |
|
| Name: | (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
| ZINC: | ZINC000036673008 |
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