Poldine methylsulfate

(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate

CAS: 545-80-2

Molecular Formula	`C22H29NO7S`
Molecular Weight	451.5 g/mol
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	451.16647
Heavy Atoms	31
Complexity	523.0

Chemical Identifiers

CAS Number	545-80-2
SMILES	`C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]`
InChIKey	`DQHAZEKGLAMVFA-UHFFFAOYSA-M`

📖 Product Overview

Poldine methylsulfate (CAS: 545-80-2) is a chemical compound with molecular formula C22H29NO7S and molecular weight 451.5 g/mol. Its IUPAC systematic name is (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate. Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 451.16647 Heavy Atoms 31 Complexity 523.0 InChI Key: DQHAZEKGLAMVFA-UHFFFAOYSA-M. SMILES: C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-].

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