Basic information
- CAS
57152-96-2- Standard SMILES
COC(=O)[C@@H]1C[NH+](C)CCC1c1ccccc1.[Br-]- InChIKey
VAMFJUPPMIRVHZ-MGWDBEAMSA-N- Molecular formula
- C14H20BrNO2
- Average molar mass
- 314.22 g/mol
- Monoisotopic mass
- 313.06774
Names & identifiers
- Preferred name
- Nipecotic acid, 1-methyl-4-phenyl-, methyl ester, hydrobromide, (E)-(+-)-
- IUPAC
- methyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Names & synonyms
NIPECOTIC ACID, 1-METHYL-4-PHENYL-, METHYL ESTER, HYDROBROMIDE, (E)-(+-)-57152-96-2RefChem:1092433(+-)-trans-1-Methyl-4-phenylnipecotic acid methyl ester hydrobromidetrans-1-Methyl-4-phenyl-piperidin-3-carbonsaeure-methylester-hydrobromid [German]trans-1-Methyl-4-phenyl-piperidin-3-carbonsaeure-methylester-hydrobromidmethyl (3S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate;bromide
Database identifiers
- CAS
57152-96-2- PubChem CID
- 42142
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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