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

Systemtic Name: 1-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H24N2OS/c1-16(23)18-5-7-19(8-6-18)22-13-11-21(12-14-22)15-17-3-9-20(24-2)10-4-17/h3-10H,11-15H2,1-2H3/p+1