2-Norbornanecarboxylic acid, 2-phenyl-, 3-quinuclidinyl ester, hydrochloride
Basic information
- CAS
101832-36-4- Standard SMILES
Cl.O=C(OC1CN2CCC1CC2)C1(c2ccccc2)CC2CCC1C2- InChIKey
PPVQQUMOKJVVOU-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO2
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.1808568
Names & identifiers
- Preferred name
- 2-Norbornanecarboxylic acid, 2-phenyl-, 3-quinuclidinyl ester, hydrochloride
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
Names & synonyms
2-Phenyl-2-norbornanecarboxylic acid 3-quinuclidinyl ester hydrochloride101832-36-43-Quinuclidyl-2-phenylbicyclo(2.2.1)heptane-2-carboxalate hydrochloride2-Norbornanecarboxylic acid, 2-phenyl-, 3-quinuclidinyl ester, hydrochlorideRefChem:264420DTXSID909066881-Azabicyclo[2.2.2]octan-3-yl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
101832-36-4- PubChem CID
- 3063902
- DTXSID
DTXSID90906688
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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