2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide
Basic information
- CAS
56708-70-4- Standard SMILES
O=C(C[n+]1ccc2ccccc2c1)c1ccc(Br)cc1.[Br-]- InChIKey
RTWPCWYSCLPHGD-UHFFFAOYSA-M- Molecular formula
- C17H13Br2NO
- Average molar mass
- 407.1 g/mol
- Monoisotopic mass
- 404.93639
Names & identifiers
- Preferred name
- 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide
- IUPAC
- 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide
- English name
- 1-(4-bromophenyl)-2-isoquinolin-2-yl-ethanone
- Molecular formula
- C17H14BrNO
- Molecular weight
- 328.20316
Names & synonyms
56708-70-42-[2-(4-BROMOPHENYL)-2-OXOETHYL]ISOQUINOLIN-2-IUM BROMIDE2-[2-(4-bromophenyl)-2-oxoethyl]isoquinolinium bromide2-(2-(4-bromophenyl)-2-oxoethyl)isoquinolin-2-ium bromideDTXSID80972150NSC153632NSC826703AKOS003627401NSC-153632NSC-826703ST511624601-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone;bromide
Show more names
1-(4-bromophenyl)-2-isoquinolin-2-yl-ethanone2-(2-(4-BROMO-PHENYL)-2-OXO-ETHYL)-ISOQUINOLINIUM, BROMIDE
Database identifiers
- CAS
56708-70-4- PubChem CID
- 2841129
- DTXSID
DTXSID80972150
Properties
Computed structural properties
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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