(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride

CAS: 100482-41-5

Molecular Formula	`C17H27ClN2O3`
Molecular Weight	342.9 g/mol
Topological Polar Surface Area	63.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	342.17102
Heavy Atoms	23
Complexity	324.0

Chemical Identifiers

CAS Number	100482-41-5
SMILES	`CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-]`
InChIKey	`QFSRJMORYALYFC-UHFFFAOYSA-N`

📖 Product Overview

(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride (CAS: 100482-41-5) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.9 g/mol. Its IUPAC systematic name is (2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl) 4-(propylamino)benzoate chloride. Topological Polar Surface Area 63.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 342.17102 Heavy Atoms 23 Complexity 324.0 InChI Key: QFSRJMORYALYFC-UHFFFAOYSA-N. SMILES: CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCCC2)O.[Cl-].

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