Basic information
- Standard SMILES
C[NH2+][C@@H](C)[C@H](O)c1ccccc1- InChIKey
KWGRBVOPPLSCSI-WPRPVWTQSA-O- Molecular formula
- C10H16NO+
- Average molar mass
- 166.24 g/mol
- Monoisotopic mass
- 166.12318913
Names & identifiers
- Preferred name
- (-)-Ephedrinium
- IUPAC
- [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
Names & synonyms
(-)-ephedrinium(1R,2S)-ephedrine[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazaniumEphedrine,(-)Ephedrine,(+/-)(-)-erythro-EphedrinePseudoephedrine,(+/-)BDBM36014CHEBI:57295KWGRBVOPPLSCSI-WPRPVWTQSA-OQ27124404(1R,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium
Database identifiers
- PubChem CID
- 6922965
- ChEBI
CHEBI:57295
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 121
Related reactions
1 records
Compound notes
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