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

HCID 20205838
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Basic information

Standard SMILES
CN(C)C(=O)Oc1ccc[n+](COC(=O)C2CC2)c1.[Cl-]
InChIKey
VKMVJBQJLRTXBC-UHFFFAOYSA-M
Molecular formula
C13H17ClN2O4
Average molar mass
300.74 g/mol
Monoisotopic mass
300.0876847

Names & identifiers

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

Names & synonyms

SCHEMBL10639186VKMVJBQJLRTXBC-UHFFFAOYSA-M3-(dimethylcarbamoyloxy)-1-(cyclopropylcarbonyloxymethyl)pyridinium chloride

Database identifiers

PubChem CID
20205838

Properties

Computed structural properties

Topological polar surface area
59.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20

Related reactions

1 records
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Compound notes

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