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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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