Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-
Basic information
- CAS
57152-99-5- Standard SMILES
CCOC(=O)[C@@H]1C[NH+](C)CCC1c1ccccc1.[Br-]- InChIKey
SOPKAMUVMLDCBE-BAGZVPGASA-N- Molecular formula
- C15H22BrNO2
- Average molar mass
- 328.24 g/mol
- Monoisotopic mass
- 327.08339
Names & identifiers
- Preferred name
- Nipecotic acid, 1-methyl-4-phenyl-, ethyl ester, hydrobromide, (E)-(+-)-
- IUPAC
- ethyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Names & synonyms
57152-99-5NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (E)-(+-)-RefChem:1092432(+-)-trans-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
Database identifiers
- CAS
57152-99-5- PubChem CID
- 42148
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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