1-[4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C19H22FN2O3S+ MolecularWeight: 377.452983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21FN2O3S/c1-15(23)17-5-7-19(8-6-17)26(24,25)22-11-9-21(10-12-22)14-16-3-2-4-18(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1