Basic information
- CAS
13015-59-3- Standard SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1OC)Cc1ccccc1OC- InChIKey
JTHLPXAUEYCJPV-UHFFFAOYSA-P- Molecular formula
- C30H48N4O4+2
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.36755603
Overview
RN in Chemline for di-HCl: 152-23-8, an antagonist of cholinergic receptors in rat diaphragm
Names & identifiers
- Preferred name
- Methoxyambenonium
- IUPAC
- 2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium
Names & synonyms
Methoxyambenonium13015-59-3DTXSID90156368RefChem:157064DTXCID2078859Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-methoxybenzyl)-Benzenemethanaminium, N,N'-((1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl))bis(N,N-diethyl-2-methoxy-2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azaniumN,N'-[(1,2-Dioxoethane-1,2-diyl)bis(azanediylethane-2,1-diyl)]bis{N-ethyl-N-[(2-methoxyphenyl)methyl]ethan-1-aminium}
Database identifiers
- CAS
13015-59-3- PubChem CID
- 9041
- DTXSID
DTXSID90156368
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 2
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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