(2S)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate

Systemtic Name: (2S)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate Openeye Name: (2S)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate CAS Name: (2S)-4-(4-nitrophenyl)sulfonyl-2-piperazin-1-iumcarboxylate IUPAC Name: (2S)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-nosylpiperazin-1-ium-2-carboxylate Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@H]([NH2+]1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6S/c15-11(16)10-7-13(6-5-12-10)21(19,20)9-3-1-8(2-4-9)14(17)18/h1-4,10,12H,5-7H2,(H,15,16)/t10-/m0/s1