X8Q
Summary
| Name: | Psilocybin |
| Synonyms: | [3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
| Formula: | C12 H17 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 284.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17) |
| InChIKey | InChI | 1.06 | QVDSEJDULKLHCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES | CACTVS | 3.385 | CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O |
