4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]benzoate Openeye Name: 4-[(4-oxopiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-oxo-1-piperidin-1-iumyl)methyl]benzoate IUPAC Name: 4-[(4-oxopiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-ketopiperidin-1-ium-1-yl)methyl]benzoate Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c15-12-5-7-14(8-6-12)9-10-1-3-11(4-2-10)13(16)17/h1-4H,5-9H2,(H,16,17)