8-Azoniabicyclo(3.2.1)octane, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-8,8-dimethyl-, methyl sulfate
Basic information
- CAS
27649-20-3- Standard SMILES
COS(=O)(=O)[O-].C[N+]1(C)C2CCC1CC(=C1c3ccccc3CCc3ccccc31)C2- InChIKey
JUVYOALUDRNTGG-UHFFFAOYSA-M- Molecular formula
- C25H31NO4S
- Average molar mass
- 441.6 g/mol
- Monoisotopic mass
- 441.19737964
Names & identifiers
- Preferred name
- 8-Azoniabicyclo(3.2.1)octane, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-8,8-dimethyl-, methyl sulfate
- IUPAC
- 8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-8-azoniabicyclo[3.2.1]octane;methyl sulfate
Names & synonyms
27649-20-33-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)tropane dimethylsulfate8-Azoniabicyclo(3.2.1)octane, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-8,8-dimethyl-, methyl sulfateRefChem:311779DTXSID309503023-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium methyl sulfate
Database identifiers
- CAS
27649-20-3- PubChem CID
- 214060
- DTXSID
DTXSID30950302
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 591
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Related reactions
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Compound notes
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