Isoquinolinium, 1-methyl-2-(3-(trimethylammonio)propyl)-, dibromide
Basic information
- CAS
64047-58-1- Standard SMILES
Cc1c2ccccc2cc[n+]1CCC[N+](C)(C)C.[Br-].[Br-]- InChIKey
KXQOFXMOHFZTQD-UHFFFAOYSA-L- Molecular formula
- C16H24Br2N2
- Average molar mass
- 404.2 g/mol
- Monoisotopic mass
- 402.03062
Names & identifiers
- Preferred name
- Isoquinolinium, 1-methyl-2-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide
- English name
- trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide
- Molecular formula
- C16H24Br2N2
- Molecular weight
- 404.18316
Names & synonyms
64047-58-1IN 278Ammonium, (3-(1-methylisoquinolinio)propyl)trimethyl-, dibromideISOQUINOLINIUM, 1-METHYL-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDERefChem:350088trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide1-Methyl-2-(3-(trimethylammonio)propyl)isoquinolin-2-ium bromide1-Methyl-2-[3-(trimethylazaniumyl)propyl]isoquinolin-2-ium dibromidetrimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium;dibromideMFCD01717059C16H24Br2N2DTXSID60982232
Show more names
AKOS030228558AS-72476A11589F8133001-Methyl-2-(3-(trimethylammonio)propyl)isoquinolin-2-iumbromidetrimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]ammonium;dibromide
Database identifiers
- CAS
64047-58-1- PubChem CID
- 46715
- DTXSID
DTXSID60982232
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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