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

Systemtic Name: 1-(3-chlorophenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O3S/c19-15-4-3-5-16(14-15)26(23,24)22-10-8-21(9-11-22)12-13-25-18-7-2-1-6-17(18)20/h1-7,14H,8-13H2/p+1