Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)
Basic information
- CAS
33531-56-5- Standard SMILES
CC[NH+]1CCCC(OC(=O)Nc2ccccc2Cl)C1.O=C([O-])C(=O)O- InChIKey
MCXQUAWISQTVDK-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O6
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.1088141
Names & identifiers
- Preferred name
- Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)
- IUPAC
- (1-ethylpiperidin-1-ium-3-yl) N-(2-chlorophenyl)carbamate;2-hydroxy-2-oxoacetate
Names & synonyms
33531-56-5DTXSID80955160Oxalic acid--1-ethylpiperidin-3-yl hydrogen (2-chlorophenyl)carbonimidate (1/1)RefChem:1093949DTXCID801383162o-Chlorocarbanilic acid N-ethyl-2-piperidinyl ester oxalateN-Ethyl-3-piperidinyl o-chlorocarbanilate oxalateCARBANILIC ACID, o-CHLORO-, N-ETHYL-3-PIPERIDINYL ESTER, OXALATE
Database identifiers
- CAS
33531-56-5- PubChem CID
- 36541
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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