(1RS)-1-({[(2Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizin-5-ium--iodide (1/1)
Chemical Structure Depiction of
(1RS)-1-({[(2Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizin-5-ium--iodide (1/1)
(1RS)-1-({[(2Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6579-0210 |
| Compound Name: | (1RS)-1-({[(2Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-5-methyloctahydro-2H-quinolizin-5-ium--iodide (1/1) |
| Molecular Weight: | 620.53 |
| Molecular Formula: | C29 H37 N2 O5 |
| Salt: | I- |
| Smiles: | C[N+]12CCCCC2[C@@H](CCC1)COC(/C(=C/c1ccc(c(c1)OC)OC)NC(c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5898 |
| logD: | 3.3817 |
| logSw: | -3.7764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.152 |
| InChI Key: | AIJDFFXFTOATQM-HBQDTZENSA-O |