N,N-Bis[2-((phenoxycarbonyl)oxy)ethyl]-N,N-dimethylammonium p-Toluene-sulfonate

HCID 19962811
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Basic information

Standard SMILES
C[N+](C)(CCOC(=O)Oc1ccccc1)CCOC(=O)Oc1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey
YDCCAXAPXQLLDU-UHFFFAOYSA-M
Molecular formula
C27H31NO9S
Average molar mass
545.6 g/mol

Names & identifiers

Preferred name
N,N-Bis[2-((phenoxycarbonyl)oxy)ethyl]-N,N-dimethylammonium p-Toluene-sulfonate
IUPAC
dimethyl-bis(2-phenoxycarbonyloxyethyl)azanium;4-methylbenzenesulfonate

Names & synonyms

SCHEMBL6751541YDCCAXAPXQLLDU-UHFFFAOYSA-MN,N-Bis[2-((phenoxycarbonyl)oxy)ethyl]-N,N-dimethylammonium p-Toluene-sulfonate

Database identifiers

PubChem CID
19962811

Properties

Computed structural properties

Topological polar surface area
137 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
38

Related reactions

3 records
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Compound notes

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