1-ethyl-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-ethyl-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-ethyl-4-(2-fluorobenzyl)sulfonyl-piperazin-1-ium Formula: C13H20FN2O2S+ MolecularWeight: 287.373503

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2F

InChI

InChI=1S/C13H19FN2O2S/c1-2-15-7-9-16(10-8-15)19(17,18)11-12-5-3-4-6-13(12)14/h3-6H,2,7-11H2,1H3/p+1