4-bromanyl-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[4-(methylthio)benzyl]piperazin-1-ium-1-yl]methyl]phenol Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2OS/c1-24-18-5-2-15(3-6-18)13-21-8-10-22(11-9-21)14-16-12-17(20)4-7-19(16)23/h2-7,12,23H,8-11,13-14H2,1H3/p+1