(3-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O3S/c1-22(15-17-6-5-7-18(21)14-17)16-20(25)23-10-12-24(13-11-23)28(26,27)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3/p+1