(-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
Basic information
- CAS
57193-93-8- Standard SMILES
CCOC(=O)C1C[NH+](C)CCC1c1ccccc1.[Br-]- InChIKey
SOPKAMUVMLDCBE-UHFFFAOYSA-N- Molecular formula
- C15H22BrNO2
- Average molar mass
- 328.24 g/mol
- Monoisotopic mass
- 327.08339
Names & identifiers
- Preferred name
- (-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
- IUPAC
- ethyl 1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Names & synonyms
57193-93-8(-)-cis-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromideNIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (Z)-(+)-NIPECOTIC ACID, 1-METHYL-4-PHENYL-, ETHYL ESTER, HYDROBROMIDE, (Z)-(-)-(+-)-trans-1-Methyl-4-phenylnipecotic acid ethyl ester hydrobromide
Database identifiers
- CAS
57193-93-8- PubChem CID
- 42155
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
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Compound notes
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