(3S,5S)-1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium

Systemtic Name: (3S,5S)-1-(4-fluoranyl-3-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Openeye Name: (3S,5S)-1-(4-fluoro-3-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium CAS Name: (3S,5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium IUPAC Name: (3S,5S)-1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpiperazin-4-ium Traditional Name: (3S,5S)-1-(4-fluoro-3-methyl-phenyl)sulfonyl-3,5-dimethyl-piperazin-4-ium Formula: C13H20FN2O2S+ MolecularWeight: 287.373503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)S(=O)(=O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

C[C@H]1CN(C[C@@H]([NH2+]1)C)S(=O)(=O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C13H19FN2O2S/c1-9-6-12(4-5-13(9)14)19(17,18)16-7-10(2)15-11(3)8-16/h4-6,10-11,15H,7-8H2,1-3H3/p+1/t10-,11-/m0/s1