1-O-(8,8-Dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)3-O-ethyl2-phenylpropanedioate; methyl sulfate

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Catalog Number
ACM113932415
Product Name
1-O-(8,8-Dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)3-O-ethyl2-phenylpropanedioate; methyl sulfate
Structure
Structure
CAS
113932-41-5
Category
Heterocyclic Organic Compound
Synonyms
TEMATROPIUM METHYLSULFATE, Tematropium methylsulfate [USAN], CID60616, 113932-41-5
IUPAC Name
1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-ethyl 2-phenylpropanedioate; methyl sulfate
Molecular Weight
457.538 g/mol
Molecular Formula
C21H31NO8S
Canonical SMILES
CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.COS(=O)(=O)[O-]
InChI Key
YLMCBOIUJONUGH-UHFFFAOYSA-M
Exact Mass
457.17700
H-Bond Acceptor
8
H-Bond Donor
0
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