3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate

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Basic information

CAS: 73825-79-3
Standard SMILES: CS([O-])(O)O.C[NH+]1CC2CC(CN(Cc3ccccc3)C2)C1
InChIKey: MUGSCPNIHZLPNK-UHFFFAOYSA-N
Molecular formula: C16H28N2O3S
Average molar mass: 328.5 g/mol
Monoisotopic mass: 328.18206393

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-methyl-, methane sulfonate
IUPAC: 3-benzyl-7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonane;dihydroxy-methyl-oxido-λ4-sulfane

Names & synonyms

3-Benzyl-7-methylbispidine methane sulfonate3-Benzyl-7-methyl-3,7-diazabicyclo(3.3.1)nonane methane sulfonate3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-7-METHYL-, METHANE SULFONATE73825-79-3RefChem:272519

Database identifiers

CAS: 73825-79-3
PubChem CID: 52620

Properties

Computed structural properties

Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 267

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Compound notes

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