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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Formula: C19H24Cl2N2O5S MolecularWeight: 463.37526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C19H23ClN2O5S.ClH/c1-25-17-12-15(13-18(26-2)19(17)27-3)21-8-10-22(11-9-21)28(23,24)16-6-4-14(20)5-7-16;/h4-7,12-13H,8-11H2,1-3H3;1H