A1JEF
Summary
| Name: | (2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol |
| Formula: | C14 H22 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 250.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H22N2O2/c1-16(8-7-11-5-3-2-4-6-11)9-13-14(17)12(15)10-18-13/h2-6,12-14,17H,7-10,15H2,1H3/t12-,13-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | CNCOSNYJXCHGAS-MELADBBJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCc1ccccc1)C[C@@H]2OC[C@H](N)[C@H]2O |
| SMILES | CACTVS | 3.385 | CN(CCc1ccccc1)C[CH]2OC[CH](N)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCc1ccccc1)C[C@H]2[C@@H]([C@H](CO2)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCc1ccccc1)CC2C(C(CO2)N)O |
