Isoquinolinium, 3-methyl-2-(3-(trimethylammonio)propyl)-, dibromide

Substructure search Find similar structures

Basic information

CAS: 64047-59-2
Standard SMILES: Cc1cc2ccccc2c[n+]1CCC[N+](C)(C)C.[Br-].[Br-]
InChIKey: KBTQRBOMLCMWMB-UHFFFAOYSA-L
Molecular formula: C16H24Br2N2
Average molar mass: 404.2 g/mol
Monoisotopic mass: 402.03062

Names & identifiers

Preferred name: Isoquinolinium, 3-methyl-2-(3-(trimethylammonio)propyl)-, dibromide
IUPAC: trimethyl-[3-(3-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide

Names & synonyms

IN 27564047-59-2ISOQUINOLINIUM, 3-METHYL-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDEAmmonium, (3-(3-methylisoquinolinio)propyl)trimethyl-, dibromideRefChem:350105DTXSID209822333-Methyl-2-[3-(trimethylazaniumyl)propyl]isoquinolin-2-ium dibromide

Database identifiers

CAS: 64047-59-2
PubChem CID: 46717
DTXSID: DTXSID20982233

Properties

Computed structural properties

Topological polar surface area: 3.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 256

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…