1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C22H32N2O3S+2 MolecularWeight: 404.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N2O3S/c1-25-20-13-18(14-21(26-2)22(20)27-3)16-24-11-9-23(10-12-24)15-17-5-7-19(28-4)8-6-17/h5-8,13-14H,9-12,15-16H2,1-4H3/p+2