Basic information
- CAS
85805-66-9- Standard SMILES
CN1CCC[C@H]1c1ccc[n+](C)c1- InChIKey
HIOROZIUERMMRQ-NSHDSACASA-N- Molecular formula
- C11H17N2+
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.13917355
Names & identifiers
- Preferred name
- Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-
- IUPAC
- 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium
Names & synonyms
85805-66-9Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-DTXSID50235087RefChem:377071DTXCID501575781-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium1-Methyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridiniumCHEMBL1190855SCHEMBL11387720BDBM444843US10667515, Compound (S)-1-methyl-nicotinium
Database identifiers
- CAS
85805-66-9- PubChem CID
- 88903
- DTXSID
DTXSID50235087- ChEMBL
CHEMBL1190855- Nikkaji
- J493.221H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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