(3R)-1-(4-ethylsulfonyl-2-fluoranyl-phenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3R)-1-(4-ethylsulfonyl-2-fluoranyl-phenyl)-3-methyl-piperazin-4-ium Openeye Name: (3R)-1-(4-ethylsulfonyl-2-fluoro-phenyl)-3-methyl-piperazin-4-ium CAS Name: (3R)-1-(4-ethylsulfonyl-2-fluorophenyl)-3-methylpiperazin-4-ium IUPAC Name: (3R)-1-(4-ethylsulfonyl-2-fluorophenyl)-3-methylpiperazin-4-ium Traditional Name: (3R)-1-(4-esyl-2-fluoro-phenyl)-3-methyl-piperazin-4-ium Formula: C13H20FN2O2S+ MolecularWeight: 287.373503

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]C(C2)C)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+][C@@H](C2)C)F

InChI

InChI=1S/C13H19FN2O2S/c1-3-19(17,18)11-4-5-13(12(14)8-11)16-7-6-15-10(2)9-16/h4-5,8,10,15H,3,6-7,9H2,1-2H3/p+1/t10-/m1/s1