1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-4-(2-thienylmethyl)piperazin-4-ium CAS Name: 1-(2,5-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-(2-thenyl)piperazin-4-ium Formula: C15H17F2N2O2S2+ MolecularWeight: 359.434486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C15H16F2N2O2S2/c16-12-3-4-14(17)15(10-12)23(20,21)19-7-5-18(6-8-19)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2/p+1