2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]benzoate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c19-16(20)14-5-1-2-6-15(14)18-9-7-17(8-10-18)12-13-4-3-11-21-13/h1-2,5-6,13H,3-4,7-12H2,(H,19,20)/t13-/m1/s1