ZWZ
Summary
| Name: | (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol |
| Formula: | C7 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methyl-piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(O)C(NC1CN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1N[C@H](CN)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[CH]1N[CH](CN)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(N1)CN)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | AKIVXVRDQKFDJC-CQOGJGKDSA-N |
