3-(4-fluorophenyl)sulfonyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonyl-propan-1-one CAS Name: 3-(4-fluorophenyl)sulfonyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonylpropan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonyl-propan-1-one Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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