2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0065 |
| Compound Name: | 2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C21 H22 N O2 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2cccc(c2)C(=O)OC)=[N+](C)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.2972 |
| logD: | 5.2972 |
| logSw: | -5.4551 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.0557 |
| InChI Key: | JCNSOJXFDWFBQE-OUKQBFOZSA-N |