Basic information
- CAS
65226-03-1- Standard SMILES
C#CC1([NH+]2CC(OC(=O)Nc3cccc4ccccc34)C2)CCCCC1.[Cl-]- InChIKey
SURNCZOLYRDTSJ-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O2
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1604557
Names & identifiers
- Preferred name
- Carbamic acid, 1-naphthalenyl-, 1-(1-ethynylcyclohexyl)-3-azetidinyl ester, monohydrochloride
- IUPAC
- [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-naphthalen-1-ylcarbamate chloride
Names & synonyms
65226-03-1Carbamic acid, 1-naphthalenyl-, 1-(1-ethynylcyclohexyl)-3-azetidinyl ester, monohydrochlorideRefChem:10808531-Naphthalenylcarbamic acid 1-(1-ethynylcyclohexyl)-3-azetidinyl ester hydrochloride
Database identifiers
- CAS
65226-03-1- PubChem CID
- 47557
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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