2-[4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]phenyl]ethanoate Openeye Name: 2-[4-[(4-oxopiperidin-1-ium-1-yl)methyl]phenyl]acetate CAS Name: 2-[4-[(4-oxo-1-piperidin-1-iumyl)methyl]phenyl]acetate IUPAC Name: 2-[4-[(4-oxopiperidin-1-ium-1-yl)methyl]phenyl]acetate Traditional Name: 2-[4-[(4-ketopiperidin-1-ium-1-yl)methyl]phenyl]acetate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C14H17NO3/c16-13-5-7-15(8-6-13)10-12-3-1-11(2-4-12)9-14(17)18/h1-4H,5-10H2,(H,17,18)