| PDB CCD ID: | LOB |
| Number of entries in BioLiP: | 20 |
| Chemical formula: | C22 H27 N O2 |
| InChI: | InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1 |
| InChIKey: | MXYUKLILVYORSK-QHAWAJNXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O | | ACDLabs 10.04 | O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3 | | CACTVS 3.341 | CN1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@@H](O)c3ccccc3 | | OpenEye OEToolkits 1.5.0 | CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O | | CACTVS 3.341 | CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3 |
|
| Name: | LOBELINE;
2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE |
| ZINC: | ZINC000000156931 |
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