(3S)-1-(2-nitrophenoxy)sulfonylpiperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-nitrophenoxy)sulfonylpiperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-nitrophenoxy)sulfonylpiperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-nitrophenoxy)sulfonyl-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-nitrophenoxy)sulfonylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-nitrophenoxy)sulfonylpiperidin-1-ium-3-carboxylate Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O7S/c15-12(16)9-4-3-7-13(8-9)22(19,20)21-11-6-2-1-5-10(11)14(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)/t9-/m0/s1