3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethoxy]benzoate

Systemtic Name: 3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethoxy]benzoate Openeye Name: 3-[2-(4-oxopiperidin-1-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-(4-oxo-1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-[2-(4-oxopiperidin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[2-(4-ketopiperidin-1-ium-1-yl)ethoxy]benzoate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1=O)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-12-4-6-15(7-5-12)8-9-19-13-3-1-2-11(10-13)14(17)18/h1-3,10H,4-9H2,(H,17,18)