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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-esyl-piperazin-1-ium Formula: C13H19ClFN2O2S+ MolecularWeight: 321.818563

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=C(C=C2)F)Cl

InChI

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