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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H19ClFN2O2S+ MolecularWeight: 321.818563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClFN2O2S/c1-2-16-6-8-17(9-7-16)20(18,19)10-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10H2,1H3/p+1