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 |