1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H17ClFN2O2S+ MolecularWeight: 307.791983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H16ClFN2O2S/c1-15-5-7-16(8-6-15)19(17,18)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3/p+1