3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c1-2-14-8-3-4-9-16(14)11-12-6-5-7-13(10-12)15(17)18/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,18)/t14-/m1/s1