1-[(2-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-o-anisyl-piperazin-4-ium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

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