Pyridinium, 4-indol-2-yl-1-(3-(trimethylammonio)propyl)-, dibromide

HCID 210261

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Basic information

CAS: 21199-47-3
Standard SMILES: C[N+](C)(C)CCC[n+]1ccc(-c2cc3ccccc3[nH]2)cc1.[Br-].[Br-]
InChIKey: UANVKVVDFUVFDF-UHFFFAOYSA-M
Molecular formula: C19H25Br2N3
Average molar mass: 455.2 g/mol
Monoisotopic mass: 453.04152

Names & identifiers

Preferred name: Pyridinium, 4-indol-2-yl-1-(3-(trimethylammonio)propyl)-, dibromide
IUPAC: 3-[4-(1H-indol-2-yl)pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide

Names & synonyms

21199-47-34-Indol-2-yl-1-(3-(trimethylammonio)propyl)pyridinium dibromidePyridinium, 4-indol-2-yl-1-(3-(trimethylammonio)propyl)-, dibromideRefChem:3772604-(1H-Indol-2-yl)-1-(3-(trimethylammonio)propyl)pyridin-1-ium bromide

Database identifiers

CAS: 21199-47-3
PubChem CID: 210261

Properties

Computed structural properties

Topological polar surface area: 19.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 341

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