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

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2-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=C3F

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

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