5-methoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
5-methoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
5-methoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0059 |
| Compound Name: | 5-methoxy-2-{2-[4-(methoxycarbonyl)phenyl]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)C(=O)OC)=[N+](C)c2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4011 |
| logD: | 5.4011 |
| logSw: | -5.5298 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.5995 |
| InChI Key: | KSGXWAJLUUMQSF-MDWZMJQESA-N |