2-[4-(2-methylsulfonylphenyl)piperazin-1-ium-1-yl]ethanol

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1N2CC[NH+](CC2)CCO

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1N2CC[NH+](CC2)CCO

InChI

InChI=1S/C13H20N2O3S/c1-19(17,18)13-5-3-2-4-12(13)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3/p+1