RefChem:1087046

(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;2-hydroxy-2-phenylacetate

CAS: 69470-37-7

Molecular Formula	`C27H30N2O4`
Molecular Weight	446.5 g/mol
Topological Polar Surface Area	97.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	446.22055
Heavy Atoms	33
Complexity	545.0

Chemical Identifiers

CAS Number	69470-37-7
SMILES	`C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C1=CC=C(C=C1)C(C(=O)[O-])O`
InChIKey	`XBTKTVWGGJAGRB-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1087046 (CAS: 69470-37-7) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.5 g/mol. Its IUPAC systematic name is (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;2-hydroxy-2-phenylacetate. Topological Polar Surface Area 97.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 446.22055 Heavy Atoms 33 Complexity 545.0 InChI Key: XBTKTVWGGJAGRB-UHFFFAOYSA-N. SMILES: C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C1=CC=C(C=C1)C(C(=O)[O-])O.

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