2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C13H20N3O5S+ MolecularWeight: 330.38

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S/c1-22(20,21)11-2-3-12(13(10-11)16(18)19)15-6-4-14(5-7-15)8-9-17/h2-3,10,17H,4-9H2,1H3/p+1