1-[(4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-p-anisyl-piperazin-1-ium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2OS/c1-23-19-7-3-17(4-8-19)15-21-11-13-22(14-12-21)16-18-5-9-20(24-2)10-6-18/h3-10H,11-16H2,1-2H3/p+1