(2S,4R)-2-methyl-4-phenoxysulfonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-2-methyl-4-phenoxysulfonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-2-methyl-4-phenoxysulfonyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-2-methyl-4-phenoxysulfonyl-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-2-methyl-4-phenoxysulfonylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-2-methyl-4-phenoxysulfonyl-pyrrolidin-1-ium-2-carboxylate Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C[NH2+]1)S(=O)(=O)OC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@]1(C[C@H](C[NH2+]1)S(=O)(=O)OC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H15NO5S/c1-12(11(14)15)7-10(8-13-12)19(16,17)18-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,15)/t10-,12+/m1/s1