1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c21-18-8-6-17(7-9-18)16-22-11-13-23(14-12-22)20(24)10-15-27(25,26)19-4-2-1-3-5-19/h1-9H,10-16H2/p+1