2-(4-bromanylphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]ethanone Formula: C20H24BrN2O2S+ MolecularWeight: 436.38576

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-26-19-8-2-16(3-9-19)14-22-10-12-23(13-11-22)20(24)15-25-18-6-4-17(21)5-7-18/h2-9H,10-15H2,1H3/p+1