Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide
Basic information
- CAS
64047-54-7- Standard SMILES
CC(=O)Nc1c[n+](CCC[N+](C)(C)C)cc2ccccc12.[Br-].[Br-]- InChIKey
UWVYIEXDBDLRBV-UHFFFAOYSA-M- Molecular formula
- C17H25Br2N3O
- Average molar mass
- 447.2 g/mol
- Monoisotopic mass
- 445.03644
Names & identifiers
- Preferred name
- Isoquinolinium, 4-acetamido-2-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- 3-(4-acetamidoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Names & synonyms
64047-54-7ISOQUINOLINIUM, 4-ACETAMIDO-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDERefChem:1087804IN 266Ammonium, (3-(4-acetamidoisoquinolinio)propyl)trimethyl-, dibromide
Database identifiers
- CAS
64047-54-7- PubChem CID
- 46707
Properties
Computed structural properties
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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