1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19NO5/c18-13(10-17-5-3-11(4-6-17)16(19)20)12-1-2-14-15(9-12)22-8-7-21-14/h1-2,9,11H,3-8,10H2,(H,19,20)