1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C19H25BrN2S+2 MolecularWeight: 393.3842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br

InChI

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