BJQ
Summary
| Name: | [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium |
| Formula: | C10 H14 N O2 |
| Formal charge: | 1 |
| Formula weight: | 180.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | VSDUZFOSJDMAFZ-VIFPVBQESA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]([NH3+])Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]([NH3+])Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)[C@H](Cc1ccccc1)[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(Cc1ccccc1)[NH3+] |
