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Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-sufododecyl)oxy)-, inner salt

HCID 47659
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Basic information

CAS
65520-64-1
Standard SMILES
CCCCCCCCCCC(C(=O)OCC[N+](C)(C)C)S(=O)(=O)[O-]
InChIKey
VIEPOBGZXHUPTR-UHFFFAOYSA-N
Molecular formula
C17H35NO5S
Average molar mass
365.5 g/mol
Monoisotopic mass
365.22359439

Names & identifiers

Preferred name
Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-sufododecyl)oxy)-, inner salt
IUPAC
1-oxo-1-[2-(trimethylazaniumyl)ethoxy]dodecane-2-sulfonate

Names & synonyms

Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-sufododecyl)oxy)-, inner salt65520-64-1

Database identifiers

CAS
65520-64-1
PubChem CID
47659

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
91.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
24
Formal charge
0
Complexity
424

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Compound notes

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