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

Systemtic Name: 1-[2-(2-chloranylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2-chlorophenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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