(2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoatemethanechloride
(2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate;methane;chloride
| Molecular Formula | C19H33ClN2O3 |
|---|---|
| Molecular Weight | 372.9 g/mol |
| Topological Polar Surface Area | 63.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.21796 |
| Heavy Atoms | 25 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 100482-39-1 |
|---|---|
| SMILES | C.CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCCC2)O.[Cl-] |
| InChIKey | SBINTGJTDIGHIS-UHFFFAOYSA-N |
📖 Product Overview
(2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoatemethanechloride (CAS: 100482-39-1) is a chemical compound with molecular formula C19H33ClN2O3 and molecular weight 372.9 g/mol. Its IUPAC systematic name is (2-hydroxy-3-piperidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate;methane;chloride.
SBINTGJTDIGHIS-UHFFFAOYSA-N.
SMILES: C.CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCCC2)O.[Cl-].
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