YAG
Summary
| Name: | 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol |
| Formula: | C17 H22 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 334.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N2O3S/c1-22-14-4-2-3-13(9-14)16-18-10-15(23-16)11-19-7-5-17(21,12-20)6-8-19/h2-4,9-10,20-21H,5-8,11-12H2,1H3 |
| InChIKey | InChI | 1.03 | FXCZNKJONOHACS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2sc(CN3CCC(O)(CO)CC3)cn2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2sc(CN3CCC(O)(CO)CC3)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O |
