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

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 2-(1-piperidin-1-iumylmethyl)benzoate IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 2-(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=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H17NO2/c15-13(16)12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)