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Methoxyambenonium chloride

HCID 9040
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Basic information

CAS
152-23-8
Standard SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1OC)Cc1ccccc1OC.[Cl-].[Cl-]
InChIKey
QEZHEPKUDKAPBY-UHFFFAOYSA-N
Molecular formula
C30H48Cl2N4O4
Average molar mass
599.6 g/mol
Monoisotopic mass
598.3052614

Names & identifiers

Preferred name
Methoxyambenonium chloride
IUPAC
2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium dichloride

Names & synonyms

Win 8078Methoxyambenonium chlorideAMMONIUM, (OXALYLBIS(IMINOETHYLENE))BIS(DIETHYL(o-METHOXYBENZYL)-, DICHLORIDE(Oxalybis(iminoethylene))bis(diethyl(o-methoxybenzyl)ammonium chloride)152-23-8RefChem:352834Benzenemethanaminium, N,N'-((1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl))bis(N,N-diethyl-2-methoxy-, dichloride

Database identifiers

CAS
152-23-8
PubChem CID
9040

Properties

Computed structural properties

Topological polar surface area
76.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
16
Heavy atoms
40
Formal charge
0
Complexity
638

Related reactions

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Compound notes

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