3-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate

Systemtic Name: 3-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate Openeye Name: 3-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate CAS Name: 3-[[(2R)-2-methyl-1-piperidin-1-iumyl]sulfonylazanidyl]benzoate IUPAC Name: 3-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate Traditional Name: 3-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanidylbenzoate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2O4S/c1-10-5-2-3-8-15(10)20(18,19)14-12-7-4-6-11(9-12)13(16)17/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,17)/q-1/t10-/m1/s1