3-(Dimethylcarbamoyloxy)-1-(hexanoyloxymethyl)-pyridinium chloride

HCID 20205836
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Basic information

Standard SMILES
CCCCCC(=O)OC[n+]1cccc(OC(=O)N(C)C)c1.[Cl-]
InChIKey
TVPDLIRGJPHBLF-UHFFFAOYSA-M
Molecular formula
C15H23ClN2O4
Average molar mass
330.81 g/mol

Names & identifiers

Preferred name
3-(Dimethylcarbamoyloxy)-1-(hexanoyloxymethyl)-pyridinium chloride
IUPAC
[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl hexanoate chloride

Names & synonyms

SCHEMBL10641283TVPDLIRGJPHBLF-UHFFFAOYSA-M3-(dimethylcarbamoyloxy)-1-(hexanoyloxymethyl)-pyridinium chloride

Database identifiers

PubChem CID
20205836

Properties

Computed structural properties

Topological polar surface area
59.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
22

Related reactions

1 records
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Compound notes

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