1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C20H26BrN2OS+ MolecularWeight: 422.40224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)SC)Br

InChI

InChI=1S/C20H25BrN2OS/c1-24-20-8-5-17(13-19(20)21)15-23-11-9-22(10-12-23)14-16-3-6-18(25-2)7-4-16/h3-8,13H,9-12,14-15H2,1-2H3/p+1