1-[(3-fluorophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H19F2N2O2S+ MolecularWeight: 353.406766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H18F2N2O2S/c18-15-4-1-3-14(11-15)13-20-7-9-21(10-8-20)24(22,23)17-6-2-5-16(19)12-17/h1-6,11-12H,7-10,13H2/p+1