1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride structure

1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride

1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride

CAS: 18429-74-8
Molecular Formula C14H17ClN2O5
Molecular Weight 328.75 g/mol
Topological Polar Surface Area 83.9 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 328.0826
Heavy Atoms 22
Complexity 327.0

Chemical Identifiers

CAS Number 18429-74-8
SMILES COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C[NH+]=CN2.[Cl-]
InChIKey LLFHOORQLLXOOM-UHFFFAOYSA-N

📖 Product Overview

1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride (CAS: 18429-74-8) is a chemical compound with molecular formula C14H17ClN2O5 and molecular weight 328.75 g/mol. Its IUPAC systematic name is 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride. Topological Polar Surface Area 83.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 328.0826 Heavy Atoms 22 Complexity 327.0 InChI Key: LLFHOORQLLXOOM-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C[NH+]=CN2.[Cl-].

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