3-(piperidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-piperidin-1-iumylmethyl)benzoate IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)benzoate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)