3-Azoniabicyclo(3.2.1)octane, 1-chloro-3,3,5,8,8-pentamethyl-, iodide

HCID 57089

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Basic information

CAS: 96434-95-6
Standard SMILES: CC12CCC(Cl)(C[N+](C)(C)C1)C2(C)C.[I-]
InChIKey: ZRJJKWVCLPZGDS-UHFFFAOYSA-M
Molecular formula: C12H23ClIN
Average molar mass: 343.67 g/mol
Monoisotopic mass: 343.05638

Names & identifiers

Preferred name: 3-Azoniabicyclo(3.2.1)octane, 1-chloro-3,3,5,8,8-pentamethyl-, iodide
IUPAC: 1-chloro-3,3,5,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane iodide

Names & synonyms

96434-95-61-Chloro-3,3,5,8,8-pentamethyl-3-azoniabicyclo(3.2.1)octane iodide3-AZONIABICYCLO(3.2.1)OCTANE, 1-CHLORO-3,3,5,8,8-PENTAMETHYL-, IODIDERefChem:2768535-chloro-1,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane iodideDTXSID709145091-Chloro-3,3,5,8,8-pentamethyl-3-azabicyclo[3.2.1]octan-3-ium iodide1-Chloro-3,3,5,8,8-pentamethyl-3-azoniabicyclo(3.2.1)octane iodide, 3-AZONIABICYCLO(3.2.1)OCTANE, 1-CHLORO-3,3,5,8,8-PENTAMETHYL-, IODIDE, 96434-95-6, 1-chloro-3,3,5,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane iodide, AC1L1MAP, LS-23504, 5-chloro-1,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane iodide

Database identifiers

CAS: 96434-95-6
PubChem CID: 57089
DTXSID: DTXSID70914509

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 271

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