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

Systemtic Name: 2-[4-(2-chloranyl-4-methylsulfonyl-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-chloro-4-methylsulfonyl-phenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-chloro-4-methylsulfonylphenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-chloro-4-methylsulfonylphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-4-mesyl-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C13H20ClN2O3S+ MolecularWeight: 319.8275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O3S/c1-20(18,19)11-2-3-13(12(14)10-11)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3/p+1