1-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-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(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

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