1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-m-anisyl-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C20H28N2OS+2 MolecularWeight: 344.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[NH+](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+2