1-[2-(4-fluorophenyl)sulfonylethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine-1,4-diium CAS Name: 1-[2-(4-fluorophenyl)sulfonylethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(4-fluorophenyl)sulfonylethyl]piperazine-1,4-diium Formula: C19H25FN2O2S+2 MolecularWeight: 364.477403

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H23FN2O2S/c20-18-6-8-19(9-7-18)25(23,24)15-14-21-10-12-22(13-11-21)16-17-4-2-1-3-5-17/h1-9H,10-16H2/p+2