1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazin-1-ium Traditional Name: 1-m-anisyl-4-[4-(methylthio)benzyl]piperazin-1-ium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

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