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

Systemtic Name: 3-[3-(4-oxidanylidenepiperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-oxopiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-oxo-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-oxopiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-ketopiperidin-1-ium-1-yl)propoxy]benzoate Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1=O)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c17-13-5-8-16(9-6-13)7-2-10-20-14-4-1-3-12(11-14)15(18)19/h1,3-4,11H,2,5-10H2,(H,18,19)