[2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride

CAS: 69781-03-9

Molecular Formula	`C26H39ClN2O3`
Molecular Weight	463.1 g/mol
Topological Polar Surface Area	43.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	14
Exact Mass	462.26492
Heavy Atoms	32
Complexity	497.0

Chemical Identifiers

CAS Number	69781-03-9
SMILES	`CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(C[NH+](C)C)CN(C)C.[Cl-]`
InChIKey	`RHXABAQMLZAWLG-UHFFFAOYSA-N`

📖 Product Overview

[2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride (CAS: 69781-03-9) is a chemical compound with molecular formula C26H39ClN2O3 and molecular weight 463.1 g/mol. Its IUPAC systematic name is [2-(4-butoxybenzoyl)oxy-2-[(dimethylamino)methyl]-4-phenylbutyl]-dimethylazanium chloride. Topological Polar Surface Area 43.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 14 Exact Mass 462.26492 Heavy Atoms 32 Complexity 497.0 InChI Key: RHXABAQMLZAWLG-UHFFFAOYSA-N. SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(C[NH+](C)C)CN(C)C.[Cl-].

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