1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(4-fluoranylphenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(4-fluoranylphenoxy)-2-methyl-propan-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(4-fluorophenoxy)-2-methyl-propan-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-fluorophenoxy)-2-methyl-1-propanone IUPAC Name: 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(4-fluorophenoxy)-2-methyl-propan-1-one Formula: C19H23BrFN2O2S+ MolecularWeight: 442.365523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)OC3=CC=C(C=C3)F

InChI

InChI=1S/C19H22BrFN2O2S/c1-19(2,25-15-5-3-14(21)4-6-15)18(24)23-11-9-22(10-12-23)13-16-7-8-17(20)26-16/h3-8H,9-13H2,1-2H3/p+1