(3S)-1-(2-fluoranyl-4-methylsulfonyl-phenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-(2-fluoranyl-4-methylsulfonyl-phenyl)-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-(2-fluoro-4-methylsulfonyl-phenyl)-3-methyl-piperazin-4-ium CAS Name: (3S)-1-(2-fluoro-4-methylsulfonylphenyl)-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-(2-fluoro-4-methylsulfonylphenyl)-3-methylpiperazin-4-ium Traditional Name: (3S)-1-(2-fluoro-4-mesyl-phenyl)-3-methyl-piperazin-4-ium Formula: C12H18FN2O2S+ MolecularWeight: 273.346923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2O2S/c1-9-8-15(6-5-14-9)12-4-3-10(7-11(12)13)18(2,16)17/h3-4,7,9,14H,5-6,8H2,1-2H3/p+1/t9-/m0/s1