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

Systemtic Name: 1-[2-(2-fluoranylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2-fluorophenoxy)ethyl]-4-(4-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=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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