2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C13H20N3O5S+ MolecularWeight: 330.38

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCO

InChI

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