Hexopyrronium

(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate

CAS: 14461-98-4

Molecular Formula	`C20H30NO3+`
Molecular Weight	332.5 g/mol
LogP	3.6
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	332.22256
Heavy Atoms	24
Complexity	438.0

Chemical Identifiers

CAS Number	14461-98-4
SMILES	`C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C`
InChIKey	`NEFZSDAFBFJUNW-UHFFFAOYSA-N`

📖 Product Overview

Hexopyrronium (CAS: 14461-98-4) is a chemical compound with molecular formula C20H30NO3+ and molecular weight 332.5 g/mol. Its IUPAC systematic name is (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate. LogP 3.6 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 332.22256 Heavy Atoms 24 Complexity 438.0 InChI Key: NEFZSDAFBFJUNW-UHFFFAOYSA-N. SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.

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