Ciclonium
Basic information
- CAS
774475-56-8- Standard SMILES
CC[N+](C)(CC)CCOC(C)(c1ccccc1)C1CC2C=CC1C2- InChIKey
UTVSLCROIUPVOX-UHFFFAOYSA-N- Molecular formula
- C22H34NO+
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.26403971
Overview
Ciclonium is a benzyl ether.
Names & identifiers
- Preferred name
- Ciclonium
- IUPAC
- 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenylethoxy]ethyl-diethyl-methylazanium
Names & synonyms
CicloniumCiclonium ionCiclonium cationUNII-4S854RFO8F4S854RFO8F774475-56-8CICLONIUM [WHO-DD]ETHANAMINIUM, 2-(1-BICYCL(2.2.1)HEPT-5-EN-2-YL-1-PHENYLETHOXY)-N,N-DIETHYL-N-METHYL-RefChem:1261052-[1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenylethoxy]ethyl-diethyl-methylazaniumCHEMBL2110800SCHEMBL29388462
Show more names
CHEBI:135403Q27260419
Database identifiers
- CAS
774475-56-8- PubChem CID
- 34626
- ChEMBL
CHEMBL2110800- ChEBI
CHEBI:135403- UNII
- 4S854RFO8F
- Nikkaji
- J257.462D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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