3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester)

Base Information

• Chemical Name: 3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester)
• CAS No.: 80381-22-2
• Molecular Formula: C18H26INO2
• Molecular Weight: 415.309
• DSSTox Substance ID: DTXSID501001200

Synonyms:3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester);80381-22-2;(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate;iodide;Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester);DTXSID501001200;AKOS024418838;LS-143184;1-Methyl-3-[(2-phenylbutanoyl)oxy]-1-azabicyclo[2.2.2]octan-1-ium iodide

Chemical Property of 3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester)

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 415.10083
• Heavy Atom Count: 22
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

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