2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5984-0392 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 433.29 |
| Molecular Formula: | C20 H20 N O2 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2ccc3c(c2)OCO3)=[N+](C)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1296 |
| logD: | 5.1296 |
| logSw: | -5.1039 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 18.9974 |
| InChI Key: | HUDKZKCSVCURRB-PKNBQFBNSA-N |