5-(methoxycarbonyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
5-(methoxycarbonyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
5-(methoxycarbonyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0020 |
| Compound Name: | 5-(methoxycarbonyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 477.34 |
| Molecular Formula: | C22 H24 N O3 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2ccc(cc2)OC)=[N+](C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3657 |
| logD: | 5.3657 |
| logSw: | -5.5298 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.5995 |
| InChI Key: | MUBAJBQWVGFGPA-MDWZMJQESA-N |