2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H19FN3O3S+ MolecularWeight: 352.403763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C16H18FN3O3S/c17-13-3-1-4-14(11-13)24(22,23)20-9-7-19(8-10-20)12-16(21)15-5-2-6-18-15/h1-6,11,18H,7-10,12H2/p+1