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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Formula: C19H24FN2O3S+ MolecularWeight: 379.468863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H23FN2O3S/c1-16-4-2-6-18(14-16)25-13-12-21-8-10-22(11-9-21)26(23,24)19-7-3-5-17(20)15-19/h2-7,14-15H,8-13H2,1H3/p+1