DTXSID90994702

(S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide

CAS: 73771-81-0

Molecular Formula	`C22H29IN2O2`
Molecular Weight	480.4 g/mol
Topological Polar Surface Area	42.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	480.12738
Heavy Atoms	27
Complexity	512.0

Chemical Identifiers

CAS Number	73771-81-0
SMILES	`CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]`
InChIKey	`QGKRCDXLQCXCNP-NYHCBIMJSA-M`

📖 Product Overview

DTXSID90994702 (CAS: 73771-81-0) is a chemical compound with molecular formula C22H29IN2O2 and molecular weight 480.4 g/mol. Its IUPAC systematic name is (S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide. Topological Polar Surface Area 42.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 480.12738 Heavy Atoms 27 Complexity 512.0 InChI Key: QGKRCDXLQCXCNP-NYHCBIMJSA-M. SMILES: CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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