1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C20H27N2O4S2+ MolecularWeight: 423.56938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H26N2O4S2/c1-25-17-6-9-19(26-2)20(14-17)28(23,24)22-12-10-21(11-13-22)15-16-4-7-18(27-3)8-5-16/h4-9,14H,10-13,15H2,1-3H3/p+1