1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C12H17ClFN2O2S+ MolecularWeight: 307.791983

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H16ClFN2O2S/c1-2-15-5-7-16(8-6-15)19(17,18)10-3-4-12(14)11(13)9-10/h3-4,9H,2,5-8H2,1H3/p+1