| ID | 2756 |
| Name | Nchembio.78-comp20 |
| Pubchem ID | 23728501 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 382.39 |
| Exact mass | 382.129062 |
| Molecular formula | C21H20NO6+ |
| XlogP | 2.6 |
| Topological Polar Surface Area | 63.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 1 |
| IUPAC Name | (5R)-5-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-5H-furo[3,4-f][1,3]benzodioxol-7-one |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[N+]1(CCC2=CC3=C(C=C2C1C4C5=CC6=C(C=C5C(=O)O4)OCO6)OCO3)C |
| Isomeric SMILE | C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=CC6=C(C=C5C(=O)O4)OCO6)OCO3)C |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |