Cinchonan-1-ium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (6-alpha,9R)-

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

CAS: 69881-63-6

Molecular Formula	`C21H27IN2O2`
Molecular Weight	466.4 g/mol
Topological Polar Surface Area	42.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	466.11172
Heavy Atoms	26
Complexity	498.0

Chemical Identifiers

CAS Number	69881-63-6
SMILES	`C[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]`
InChIKey	`AJQSDVGBERUTGX-KCWPWBDNSA-M`

📖 Product Overview

Cinchonan-1-ium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (6-alpha,9R)- (CAS: 69881-63-6) is a chemical compound with molecular formula C21H27IN2O2 and molecular weight 466.4 g/mol. Its IUPAC systematic name is (S)-[(2R)-5-ethenyl-1-methyl-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 4 Exact Mass 466.11172 Heavy Atoms 26 Complexity 498.0 InChI Key: AJQSDVGBERUTGX-KCWPWBDNSA-M. SMILES: C[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-].

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