3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzoate Openeye Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]benzoate IUPAC Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1O)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-12-4-6-14(7-5-12)9-10-2-1-3-11(8-10)13(16)17/h1-3,8,12,15H,4-7,9H2,(H,16,17)