A1LWL
Summary
| Name: | vesamicol |
| Synonyms: | (1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol 2-(4-Phenylpiperidino)cyclohexanol |
| Formula: | C17 H25 N O |
| Formal charge: | 0 |
| Formula weight: | 259.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | YSSBJODGIYRAMI-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCN(CC2)[C@H]3CCCC[C@@H]3O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCN(CC2)C3CCCCC3O |
