Basic information
- CAS
37906-98-2- Standard SMILES
O=C(OCCC[NH+]1CCCCC1)C1C2C=CC=CCC21.[Cl-]- InChIKey
NIEAIYUVQGJQDI-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 3-(piperidinopropyl) ester, hydrochloride
- IUPAC
- 3-piperidin-1-ium-1-ylpropyl bicyclo[5.1.0]octa-2,4-diene-8-carboxylate chloride
Names & synonyms
MP 17Bicyclo(5.1.0)octa-2,4-diene-8-carboxylic acid, 3-(piperidinopropyl) ester, hydrochloride37906-98-2RefChem:329419
Database identifiers
- CAS
37906-98-2- PubChem CID
- 37865
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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