1-methyl-1-(phenylmethyl)sulfonyl-azetidin-1-ium-2-carboxylate

Systemtic Name: 1-methyl-1-(phenylmethyl)sulfonyl-azetidin-1-ium-2-carboxylate Openeye Name: 1-benzylsulfonyl-1-methyl-azetidin-1-ium-2-carboxylate CAS Name: 1-methyl-1-(phenylmethyl)sulfonyl-2-azetidin-1-iumcarboxylate IUPAC Name: 1-benzylsulfonyl-1-methylazetidin-1-ium-2-carboxylate Traditional Name: 1-benzylsulfonyl-1-methyl-azetidin-1-ium-2-carboxylate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCC1C(=O)[O-])S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H15NO4S/c1-13(8-7-11(13)12(14)15)18(16,17)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3