Basic information
- CAS
477709-00-5- Standard SMILES
O=C(C[N+]12CN3CN(CN(C3)C1)C2)c1sccc1Cl.[Br-]- InChIKey
UGIUCLHBIHOVPF-UHFFFAOYSA-M- Molecular formula
- C12H16BrClN4OS
- Average molar mass
- 379.7 g/mol
- Monoisotopic mass
- 377.99167
Names & identifiers
- Preferred name
- 1-(2-(3-Chloro-2-thienyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1[3,7])decane bromide
- IUPAC
- 1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
- English name
- 1-[2-(3-Chloro-2-thienyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3,7)]decane bromide
- Molecular formula
- C12H16BrClN4OS
- Molecular weight
- 379.7
Names & synonyms
477709-00-51-(2-(3-Chloro-2-thienyl)-2-oxoethyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.1[3,7])decane bromide1-(3-chlorothiophen-2-yl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;bromideAKOS00507778811J-9201-(2-(3-Chlorothiophen-2-yl)-2-oxoethyl)-1,3,5,7-tetraazaadamantan-1-ium bromide1-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]-1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decan-1-ium bromide1-[2-(3-Chloro-2-thienyl)-2-oxoethyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3,7)]decane bromide
Database identifiers
- CAS
477709-00-5- PubChem CID
- 2767321
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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