Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, isopropyl ester
Basic information
- CAS
13011-32-0- Standard SMILES
CC(C)OC(=O)C1=CCC[N+](C)(C)C1.[I-]- InChIKey
UHMQMUJSXOOLCF-UHFFFAOYSA-M- Molecular formula
- C11H20INO2
- Average molar mass
- 325.19 g/mol
- Monoisotopic mass
- 325.05388
Names & identifiers
- Preferred name
- Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, isopropyl ester
- IUPAC
- propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
Names & synonyms
i-Propyl-1-methyl-1,2,5,6-tetrahydronicotinate methiodide13011-32-0Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, isopropyl esterRefChem:376962DTXSID409265981,1-Dimethyl-5-{[(propan-2-yl)oxy]carbonyl}-1,2,3,6-tetrahydropyridin-1-ium iodide
Database identifiers
- CAS
13011-32-0- PubChem CID
- 202602
- DTXSID
DTXSID40926598
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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