2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5984-0393 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 491.32 |
| Molecular Formula: | C22 H22 N O4 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2ccc3c(c2)OCO3)=[N+](C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3875 |
| logD: | 5.3875 |
| logSw: | -5.4731 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.171 |
| InChI Key: | ROLPNJRWJHUFGB-UXBLZVDNSA-N |