3-Azoniabicyclo(3.3.1)nonane, 3-methyl-3-(4-(1-methylpyrrolidinio)butyl)-, diiodide

HCID 47124

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Basic information

CAS: 64058-09-9
Standard SMILES: C[N+]1(CCCC[N+]2(C)CC3CCCC(C3)C2)CCCC1.[I-].[I-]
InChIKey: DZYWWPYQEORXMK-UHFFFAOYSA-L
Molecular formula: C18H36I2N2
Average molar mass: 534.3 g/mol
Monoisotopic mass: 534.09679

Names & identifiers

Preferred name: 3-Azoniabicyclo(3.3.1)nonane, 3-methyl-3-(4-(1-methylpyrrolidinio)butyl)-, diiodide
IUPAC: 3-methyl-3-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-3-azoniabicyclo[3.3.1]nonane diiodide

Names & synonyms

3-Azoniabicyclo(3.3.1)nonane, 3-methyl-3-(4-(1-methylpyrrolidinio)butyl)-, diiodide64058-09-9Pyrrolidinium, 1-methyl-1-(3-(3-methyl-3-azoniabicyclo(3.3.1)non-3-yl)propyl)-, diiodideRefChem:276862DTXSID609824793-Methyl-3-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-3-azabicyclo[3.3.1]nonan-3-ium diiodide

Database identifiers

CAS: 64058-09-9
PubChem CID: 47124
DTXSID: DTXSID60982479

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 307

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