(2R)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Formula: C13H20N3O6S+ MolecularWeight: 346.3794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CO)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6S/c17-10-12(18)9-14-4-6-15(7-5-14)23(21,22)13-3-1-2-11(8-13)16(19)20/h1-3,8,12,17-18H,4-7,9-10H2/p+1/t12-/m1/s1