3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide

HCID 57441

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Basic information

CAS: 98780-67-7
Standard SMILES: CC1(C)C2CCC1C[N+](C)(Cc1ccccc1Cl)C2.[I-]
InChIKey: GVNSHRPQUIPREW-UHFFFAOYSA-M
Molecular formula: C17H25ClIN
Average molar mass: 405.7 g/mol
Monoisotopic mass: 405.07203

Names & identifiers

Preferred name: 3-Azoniabicyclo(3.2.1)octane, 3-(o-chlorobenzyl)-3,3,8,8-tetramethyl-, iodide
IUPAC: 3-[(2-chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octane iodide
English name: 3-AZONIABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROBENZYL)-3,3,8,8-TETRAMETHYL-, IODIDE
Molecular formula: C18H27ClIN
Molecular weight: 0

Names & synonyms

98780-67-73-(o-Chlorobenzyl)-3,5,8,8-tetramethyl-3-azoniabicyclo(3.2.1)octane iodide3-AZONIABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROBENZYL)-3,3,8,8-TETRAMETHYL-, IODIDERefChem:276854DTXSID809130833-[(2-Chlorophenyl)methyl]-3,8,8-trimethyl-3-azoniabicyclo[3.2.1]octaneiodide3-[(2-Chlorophenyl)methyl]-3,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-ium iodideCID57441, LS-23503, 3-(o-Chlorobenzyl)-3,5,8,8-tetramethyl-3-azoniabicyclo(3.2.1)octane iodide, 3-AZONIABICYCLO(3.2.1)OCTANE, 3-(o-CHLOROBENZYL)-3,3,8,8-TETRAMETHYL-, IODIDE, 98780-67-73-[(2-chlorophenyl)methyl]-3,5,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane

Database identifiers

CAS: 98780-67-7
PubChem CID: 57441
DTXSID: DTXSID80913083

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 322

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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