8-[(diethylazaniumyl)methyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(diethylazaniumyl)methyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(diethylammonio)methyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(diethylammonio)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(diethylazaniumyl)methyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(diethylammonio)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC(=CC2=C1OCOC2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC(=CC2=C1OCOC2)C(=O)[O-]

InChI

InChI=1S/C14H19NO4/c1-3-15(4-2)7-11-5-10(14(16)17)6-12-8-18-9-19-13(11)12/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)