2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-(4-nosylpiperazin-1-ium-1-yl)ethanol Formula: C12H18N3O5S+ MolecularWeight: 316.35342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c16-10-9-13-5-7-14(8-6-13)21(19,20)12-3-1-11(2-4-12)15(17)18/h1-4,16H,5-10H2/p+1