2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--bromide (1/1)
Chemical Structure Depiction of
2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--bromide (1/1)
2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0130 |
| Compound Name: | 2-{2-[4-(dimethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--bromide (1/1) |
| Molecular Weight: | 443.38 |
| Molecular Formula: | C23 H27 N2 O2 |
| Salt: | Br- |
| Smiles: | CC1(C)C(/C=C/c2ccc(cc2)N(C)C)=[N+](C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4733 |
| logD: | 5.4733 |
| logSw: | -5.4877 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.8605 |
| InChI Key: | PGWXEJMXLCZOBX-UHFFFAOYSA-N |