(2R)-1-[4-(4-bromanylphenoxy)phenyl]sulfonyl-1-oxidanyl-piperidin-1-ium-2-carboxylic acid

Systemtic Name: (2R)-1-[4-(4-bromanylphenoxy)phenyl]sulfonyl-1-oxidanyl-piperidin-1-ium-2-carboxylic acid Openeye Name: (2R)-1-[4-(4-bromophenoxy)phenyl]sulfonyl-1-hydroxy-piperidin-1-ium-2-carboxylic acid CAS Name: (2R)-1-[4-(4-bromophenoxy)phenyl]sulfonyl-1-hydroxy-2-piperidin-1-iumcarboxylic acid IUPAC Name: (2R)-1-[4-(4-bromophenoxy)phenyl]sulfonyl-1-hydroxypiperidin-1-ium-2-carboxylic acid Traditional Name: (2R)-1-[4-(4-bromophenoxy)phenyl]sulfonyl-1-hydroxy-piperidin-1-ium-2-carboxylic acid Formula: C18H19BrNO6S+ MolecularWeight: 457.31556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C(=O)O)(O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[N+]([C@H](C1)C(=O)O)(O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO6S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20(23)12-2-1-3-17(20)18(21)22/h4-11,17,23H,1-3,12H2/p+1/t17-,20?/m1/s1