1078724-79-4
Product Name:
diethyl 2-[[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]propanedioate iodide
Formula:
C18H32INO4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 453.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 453.13761 g/mol |
| Monoisotopic Mass | 453.13761 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 407 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |