1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-25-19-9-7-17(8-10-19)15-21-11-13-22(14-12-21)20(23)16-24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1