1-methyl-1-[3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)prop-2-yn-1-yl]piperidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-methyl-1-[3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)prop-2-yn-1-yl]piperidin-1-ium--iodide (1/1)
1-methyl-1-[3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)prop-2-yn-1-yl]piperidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4161-2468 |
| Compound Name: | 1-methyl-1-[3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)prop-2-yn-1-yl]piperidin-1-ium--iodide (1/1) |
| Molecular Weight: | 495.44 |
| Molecular Formula: | C24 H34 N O2 |
| Salt: | I- |
| Smiles: | CC1(CCC2C(c3ccccc3OC2(C)C)O1)C#CC[N+]1(C)CCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.004 |
| logD: | 5.004 |
| logSw: | -4.7734 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.0225 |
| InChI Key: | RDKWTBULQNEFPV-UHFFFAOYSA-N |