Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 23rd, 2004 |
24 |
No
|
Other Names:
ium
1-Ethyl-1-(2-hydroxyethyl)pyrrolidinium iodide 3,4,5-trimethoxybenzoate; LS-138379; N-Ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)pyrrolidinium iodide; Pyrrolidinium, 1-ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)-, iodide; Pyrrolidinium, 1-ethyl-1-(2
INN)
LS-138389; N-Ethyl-N-2-(3,4,5-trimethoxybenzoyloxy)ethyl pyrrolidinium tosylate; Pyrrolidinium, 1-ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)-; Pyrrolidinium, N-ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)-, tosylate; Troxypyrrolidinium
Troxypyrrolium Tosilate (BAN
Download:
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SDF
SMILES
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-1.43 |
4.74 |
-39.57 |
0 |
6 |
1 |
54 |
338.424 |
9 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
