1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Formula: C20H27ClN2O6S MolecularWeight: 458.95618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]

InChI

InChI=1S/C20H26N2O6S.ClH/c1-25-16-5-7-17(8-6-16)29(23,24)22-11-9-21(10-12-22)15-13-18(26-2)20(28-4)19(14-15)27-3;/h5-8,13-14H,9-12H2,1-4H3;1H