1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H20FN2O5S+ MolecularWeight: 407.435903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN2O5S/c20-15-2-4-16(5-3-15)28(24,25)22-9-7-21(8-10-22)12-17(23)14-1-6-18-19(11-14)27-13-26-18/h1-6,11H,7-10,12-13H2/p+1