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

Systemtic Name: 3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)CCO)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-9-7-14-6-1-2-8-16(14)11-12-4-3-5-13(10-12)15(18)19/h3-5,10,14,17H,1-2,6-9,11H2,(H,18,19)/t14-/m1/s1