3-Benzyl-3-methyl-7-oxo-3-azonia-bicyclo[3.3.1]nonane bromide - CAS 909135-28-0
Catalog: |
BB073614 |
Product Name: |
3-Benzyl-3-methyl-7-oxo-3-azonia-bicyclo[3.3.1]nonane bromide |
CAS: |
909135-28-0 |
Synonyms: |
3-BENZYL-3-METHYL-7-OXO-3-AZONIA-BICYCLO[3.3.1]NONANE BROMIDE; 3-benzyl-3-methyl-3-azoniabicyclo[3.3.1]nonan-7-one; bromide |
IUPAC Name: | 3-benzyl-3-methyl-3-azoniabicyclo[3.3.1]nonan-7-onebromide |
Description: | 3-Benzyl-3-methyl-7-oxo-3-azonia-bicyclo[3.3.1]nonane bromide |
Molecular Weight: | 229.32 |
Molecular Formula: | C15H19NO |
Canonical SMILES: | C[N+]1(CC2CC(C1)CC(=O)C2)CC3=CC=CC=C3.[Br-] |
InChI: | InChI=1S/C16H22NO.BrH/c1-17(10-13-5-3-2-4-6-13)11-14-7-15(12-17)9-16(18)8-14/h2-6,14-15H,7-12H2,1H31H/q+1/p-1 |
InChI Key: | WQOFMIUINIVIEG-UHFFFAOYSA-M |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.08848 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.08848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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