8-(pyrrolidin-1-ium-1-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-(pyrrolidin-1-ium-1-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(pyrrolidin-1-ium-1-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-(1-pyrrolidin-1-iumylmethyl)-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(pyrrolidin-1-ium-1-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-(pyrrolidin-1-ium-1-ylmethyl)-4H-1,3-benzodioxin-6-carboxylate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC3=C2OCOC3)C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-14(17)10-5-11(7-15-3-1-2-4-15)13-12(6-10)8-18-9-19-13/h5-6H,1-4,7-9H2,(H,16,17)