1-[(1,4-dioxaspiro[4.5]decan-2-yl)methyl]-1-{[4-(methoxycarbonyl)phenyl]methyl}pyrrolidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[(1,4-dioxaspiro[4.5]decan-2-yl)methyl]-1-{[4-(methoxycarbonyl)phenyl]methyl}pyrrolidin-1-ium--bromide (1/1)
1-[(1,4-dioxaspiro[4.5]decan-2-yl)methyl]-1-{[4-(methoxycarbonyl)phenyl]methyl}pyrrolidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 6228-0677 |
| Compound Name: | 1-[(1,4-dioxaspiro[4.5]decan-2-yl)methyl]-1-{[4-(methoxycarbonyl)phenyl]methyl}pyrrolidin-1-ium--bromide (1/1) |
| Molecular Weight: | 454.4 |
| Molecular Formula: | C22 H32 N O4 |
| Salt: | Br- |
| Smiles: | COC(c1ccc(C[N+]2(CCCC2)CC2COC3(CCCCC3)O2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8343 |
| logD: | 3.8343 |
| logSw: | -3.9112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.912 |
| InChI Key: | ADOYJUZVHCBHKD-FQEVSTJZSA-N |