1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C21H30N2O2S+2 MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-24-19-6-9-21(25-2)18(14-19)16-23-12-10-22(11-13-23)15-17-4-7-20(26-3)8-5-17/h4-9,14H,10-13,15-16H2,1-3H3/p+2