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

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)ethanol CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)ethanol Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)ethanol Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCO)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2O3S/c16-11-10-14-6-8-15(9-7-14)19(17,18)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2/p+1