8-[[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-[(4-fluorophenyl)methylsulfonyl]-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-(4-fluorobenzyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2S/c22-20-8-6-17(7-9-20)16-28(26,27)25-13-11-24(12-14-25)15-19-4-1-3-18-5-2-10-23-21(18)19/h1-10H,11-16H2/p+1