4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]benzoate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-])CO

InChI

InChI=1S/C14H19NO3/c16-10-12-2-1-7-15(9-12)8-11-3-5-13(6-4-11)14(17)18/h3-6,12,16H,1-2,7-10H2,(H,17,18)/t12-/m1/s1