1-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxyphenyl]methyl}-6,7-dimethoxy-2-methylisoquinolin-2-ium--iodide (1/1)
Chemical Structure Depiction of
1-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxyphenyl]methyl}-6,7-dimethoxy-2-methylisoquinolin-2-ium--iodide (1/1)
1-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxyphenyl]methyl}-6,7-dimethoxy-2-methylisoquinolin-2-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8018-6605 |
| Compound Name: | 1-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxyphenyl]methyl}-6,7-dimethoxy-2-methylisoquinolin-2-ium--iodide (1/1) |
| Molecular Weight: | 574.46 |
| Molecular Formula: | C27 H31 N2 O4 |
| Salt: | I- |
| Smiles: | Cc1ccc(C)n1c1cc(c(cc1Cc1c2cc(c(cc2cc[n+]1C)OC)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1676 |
| logD: | 4.1676 |
| logSw: | -4.262 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.46 |
| InChI Key: | UOJWCTCCZRKPAY-UHFFFAOYSA-N |