1-[(4-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-[4-(methylthio)benzyl]piperazin-1-ium Formula: C19H24BrN2S+ MolecularWeight: 392.37626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN2S/c1-23-19-8-4-17(5-9-19)15-22-12-10-21(11-13-22)14-16-2-6-18(20)7-3-16/h2-9H,10-15H2,1H3/p+1