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

Systemtic Name: 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methoxyphenoxy)-1-[4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methoxyphenoxy)-1-[4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]ethanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O3S/c1-25-18-5-7-19(8-6-18)26-16-21(24)23-13-11-22(12-14-23)15-17-3-9-20(27-2)10-4-17/h3-10H,11-16H2,1-2H3/p+1