Basic information
- CAS
31823-18-4- Standard SMILES
C[NH+]1CCCC(OC(=O)c2ccc(N)cc2)(C(=O)c2ccccc2)C1.[Cl-]- InChIKey
VETOIGICEIOTIS-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O3
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1397203
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-
- IUPAC
- (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 4-aminobenzoate chloride
Names & synonyms
31823-18-4Benzoic acid, p-amino-, ester with 3-hydroxy-1-methyl-3-piperidyl phenyl ketone, monohydrochloride, (+-)-RefChem:1079307(+-)-1-Methyl-3-benzoyl-(p-aminobenzoyloxy)piperidine hydrochloride
Database identifiers
- CAS
31823-18-4- PubChem CID
- 35941
Properties
Computed structural properties
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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