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

Systemtic Name: 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride Openeye Name: 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 1H-imidazol-3-ium-5-ylmethyl ester chloride IUPAC Name: 1H-imidazol-3-ium-5-ylmethyl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid 1H-imidazol-3-ium-5-ylmethyl ester chloride Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C[NH+]=CN2.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C[NH+]=CN2.[Cl-]

InChI

InChI=1S/C14H16N2O5.ClH/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-8-16-10;/h4-6,8H,7H2,1-3H3,(H,15,16);1H