Ammonium, (2-(4-carboxy-3-hydroxycarbanilino)ethyl)diethylmethyl-, iodide, methyl ester
Basic information
- CAS
73680-81-6- Standard SMILES
CC[N+](C)(CC)CCC(=O)Nc1ccc(C(=O)OC)c(O)c1.[I-]- InChIKey
WKSPDSLBHVTKOE-UHFFFAOYSA-N- Molecular formula
- C16H25IN2O4
- Average molar mass
- 436.28 g/mol
- Monoisotopic mass
- 436.0859
Names & identifiers
- Preferred name
- Ammonium, (2-(4-carboxy-3-hydroxycarbanilino)ethyl)diethylmethyl-, iodide, methyl ester
- IUPAC
- diethyl-[3-(3-hydroxy-4-methoxycarbonylanilino)-3-oxopropyl]-methylazanium iodide
Names & synonyms
Methyl 4-(3-(diethylamino)propionylamino)salicylate, methiodideAmmonium, (2-(4-carboxy-3-hydroxycarbanilino)ethyl)diethylmethyl-, iodide, methyl ester73680-81-6Salicylic acid, 4-(3-diethylaminopropionamido)-, methyl ester, methiodide1-Propanaminium, N,N-diethyl-3-((3-hydroxy-4-(methoxycarbonyl)phenyl)amino)-N-methyl-3-oxo-, iodideRefChem:318748
Database identifiers
- CAS
73680-81-6- PubChem CID
- 52146
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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