Isoquinolinium, 6,7-dimethoxy-2-(3-(trimethylammonio)propyl)-, dibromide

HCID 46709

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Basic information

CAS: 64047-55-8
Standard SMILES: COc1cc2cc[n+](CCC[N+](C)(C)C)cc2cc1OC.[Br-].[Br-]
InChIKey: SUGUXNYMDILWAX-UHFFFAOYSA-L
Molecular formula: C17H26Br2N2O2
Average molar mass: 450.2 g/mol
Monoisotopic mass: 448.0361

Names & identifiers

Preferred name: Isoquinolinium, 6,7-dimethoxy-2-(3-(trimethylammonio)propyl)-, dibromide
IUPAC: 3-(6,7-dimethoxyisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide

Names & synonyms

IN 29364047-55-8ISOQUINOLINIUM, 6,7-DIMETHOXY-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDEAmmonium, (3-(6,7-dimethoxyisoquinolinio)propyl)trimethyl-, dibromideRefChem:350110DTXSID309822296,7-Dimethoxy-2-[3-(trimethylazaniumyl)propyl]isoquinolin-2-ium dibromide

Database identifiers

CAS: 64047-55-8
PubChem CID: 46709
DTXSID: DTXSID30982229

Properties

Computed structural properties

Topological polar surface area: 22.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 316

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