1-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(4-fluoro-3-methylphenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(4-fluoro-3-methylphenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-4-ium Formula: C11H16FN2O2S+ MolecularWeight: 259.320343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH2+]CC2)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH2+]CC2)F

InChI

InChI=1S/C11H15FN2O2S/c1-9-8-10(2-3-11(9)12)17(15,16)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3/p+1