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

Systemtic Name: 1-[2-(2-fluoranylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-fluorophenoxy)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(2-fluorophenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2-fluorophenoxy)ethyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c21-19-8-4-5-9-20(19)26-16-15-22-11-13-23(14-12-22)27(24,25)17-10-18-6-2-1-3-7-18/h1-10,17H,11-16H2/p+1/b17-10+