5-methyl-1-{[(2-methylbenzoyl)oxy]methyl}octahydro-2H-quinolizin-5-ium--iodide (1/1)
Chemical Structure Depiction of
5-methyl-1-{[(2-methylbenzoyl)oxy]methyl}octahydro-2H-quinolizin-5-ium--iodide (1/1)
5-methyl-1-{[(2-methylbenzoyl)oxy]methyl}octahydro-2H-quinolizin-5-ium--iodide (1/1)
Compound characteristics
| Compound ID: | N085-0052 |
| Compound Name: | 5-methyl-1-{[(2-methylbenzoyl)oxy]methyl}octahydro-2H-quinolizin-5-ium--iodide (1/1) |
| Molecular Weight: | 429.34 |
| Molecular Formula: | C19 H28 N O2 |
| Salt: | I- |
| Smiles: | Cc1ccccc1C(=O)OCC1CCC[N+]2(C)CCCCC12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3439 |
| logD: | 3.3439 |
| logSw: | -3.6316 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.9662 |
| InChI Key: | ACPFNADODZHAHS-UHFFFAOYSA-N |