1-[2-(4-fluoranylphenoxy)ethyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(4-fluorophenoxy)ethyl]-4-(3-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C18H21F2N2O3S+ MolecularWeight: 383.432746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H20F2N2O3S/c19-15-4-6-17(7-5-15)25-13-12-21-8-10-22(11-9-21)26(23,24)18-3-1-2-16(20)14-18/h1-7,14H,8-13H2/p+1