18-(methoxycarbonyl)-6-methyl-3,4-didehydroibogamin-6-ium--iodide (1/1)
Chemical Structure Depiction of
18-(methoxycarbonyl)-6-methyl-3,4-didehydroibogamin-6-ium--iodide (1/1)
18-(methoxycarbonyl)-6-methyl-3,4-didehydroibogamin-6-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6944-0118 |
| Compound Name: | 18-(methoxycarbonyl)-6-methyl-3,4-didehydroibogamin-6-ium--iodide (1/1) |
| Molecular Weight: | 478.37 |
| Molecular Formula: | C22 H27 N2 O2 |
| Salt: | I- |
| Smiles: | CCC1=CC2CC3(C1[N+](C)(CCc1c4ccccc4[nH]c13)C2)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7776 |
| logD: | 3.7776 |
| logSw: | -4.1681 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2299 |
| InChI Key: | XIAWUIAHZLTISQ-UHFFFAOYSA-N |